N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium

C25H27NOSiTi — CID 87357348

IUPACN,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium
SMILESC=C1c2ccccc2C2=C(CC(C[Si](=O)N(C)C(C)(C)C)=C2)c2ccccc21.[Ti]
InChIInChI=1S/C25H27NOSi.Ti/c1-17-19-10-6-8-12-21(19)23-14-18(16-28(27)26(5)25(2,3)4)15-24(23)22-13-9-7-11-20(17)22;/h6-14H,1,15-16H2,2-5H3;
InChIKeyZGQGGKRMJCDJPV-UHFFFAOYSA-N
MW433.45 g/mol
LogP5.95
Rot. Bonds3

About N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium

N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium (PubChem CID 87357348) has the molecular formula C25H27NOSiTi and a molecular weight of 433.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium.

Molecular Properties

Compound NameN,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium
PubChem CID87357348
Molecular FormulaC25H27NOSiTi
Molecular Weight433.45 g/mol
Exact Mass433.13
IUPAC NameN,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium
SMILESC=C1c2ccccc2C2=C(CC(C[Si](=O)N(C)C(C)(C)C)=C2)c2ccccc21.[Ti]
InChIInChI=1S/C25H27NOSi.Ti/c1-17-19-10-6-8-12-21(19)23-14-18(16-28(27)26(5)25(2,3)4)15-24(23)22-13-9-7-11-20(17)22;/h6-14H,1,15-16H2,2-5H3;
InChIKeyZGQGGKRMJCDJPV-UHFFFAOYSA-N
XLogP5.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium with MolForge

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Related Compounds

N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine
CID 87063608
N-[dimethyl-(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)silyl]-2-methylpropan-2-amine;titanium(2+);dichloride
CID 173201299
N-[[13-(difluoromethylidene)-3-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaenyl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium;dihydrochloride
CID 172996665
N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride
CID 157185777
N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride
CID 157185328
trimethyl-[4-methylidene-6-(9-methylidene-4-oxo-3H-cyclopenta[b]naphthalen-2-yl)-6-oxohexyl]azanium
CID 129022553
N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323632
ditert-butyl-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]phosphane
CID 139996228
tert-butyl N-[2-[(10-methylidene-9-oxoanthracene-2-carbonyl)amino]ethyl]carbamate
CID 91508010
2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one
CID 74006938
benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323631
4-methyl-9-methylidenefluorene
CID 59208223

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium?
The IUPAC name of N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium (CID 87357348) is N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium.
What is the SMILES notation for N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium?
The canonical SMILES for N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium is C=C1c2ccccc2C2=C(CC(C[Si](=O)N(C)C(C)(C)C)=C2)c2ccccc21.[Ti].
What is the InChIKey of N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium?
The InChIKey is ZGQGGKRMJCDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NOSi.Ti/c1-17-19-10-6-8-12-21(19)23-14-18(16-28(27)26(5)25(2,3)4)15-24(23)22-13-9-7-11-20(17)22;/h6-14H,1,15-16H2,2-5H3;.
What are the key properties of N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium?
N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium has a molecular weight of 433.45 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(13-methylidene-4-tetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),3,7,9,11,14,16-octaenyl)methyl-oxosilyl]propan-2-amine;titanium is sourced from PubChem (CID 87357348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).