3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine

C27H35NSi — CID 123395999

IUPAC3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine
SMILESCCCCc1ccc2c3c(ccc2c1)[Si](C)(C)c1cc(C(N)(CC)CC)ccc1-3
InChIInChI=1S/C27H35NSi/c1-6-9-10-19-11-14-22-20(17-19)12-16-24-26(22)23-15-13-21(27(28,7-2)8-3)18-25(23)29(24,4)5/h11-18H,6-10,28H2,1-5H3
InChIKeySKNDAWJURIUYKT-UHFFFAOYSA-N
MW401.67 g/mol
LogP5.96
Rot. Bonds6

About 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine

3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine (PubChem CID 123395999) has the molecular formula C27H35NSi and a molecular weight of 401.67 g/mol. Its IUPAC name is 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine
PubChem CID123395999
Molecular FormulaC27H35NSi
Molecular Weight401.67 g/mol
Exact Mass401.25
IUPAC Name3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine
SMILESCCCCc1ccc2c3c(ccc2c1)[Si](C)(C)c1cc(C(N)(CC)CC)ccc1-3
InChIInChI=1S/C27H35NSi/c1-6-9-10-19-11-14-22-20(17-19)12-16-24-26(22)23-15-13-21(27(28,7-2)8-3)18-25(23)29(24,4)5/h11-18H,6-10,28H2,1-5H3
InChIKeySKNDAWJURIUYKT-UHFFFAOYSA-N
XLogP5.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.67
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine
CID 123256289
7,19-dibutyl-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene
CID 102525552
2-(2,6-dibutylanthracen-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 146439591
9,23-didecyl-16-thiaheptacyclo[15.12.0.02,15.05,14.06,11.018,27.021,26]nonacosa-1(17),2(15),3,5(14),6(11),7,9,12,18(27),19,21(26),22,24,28-tetradecaene
CID 158576615
2-butyl-6-propylnaphthalene
CID 58232616
2-butyl-6-propylnaphthalene;propane
CID 123540121
7,17-dioctyl-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 132570503
2-butyl-7-[2-(3,5-difluorophenyl)ethynyl]phenanthrene
CID 139883756
6,16-bis[2-(4-butylphenyl)ethyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene
CID 168727375
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
6-butyl-1-fluoro-2-[4-(4-methylphenyl)phenyl]naphthalene;1-fluoro-2-[4-(4-methylphenyl)phenyl]-6-pentylnaphthalene
CID 18411080
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine?
The IUPAC name of 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine (CID 123395999) is 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine.
What is the SMILES notation for 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine?
The canonical SMILES for 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine is CCCCc1ccc2c3c(ccc2c1)[Si](C)(C)c1cc(C(N)(CC)CC)ccc1-3.
What is the InChIKey of 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine?
The InChIKey is SKNDAWJURIUYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NSi/c1-6-9-10-19-11-14-22-20(17-19)12-16-24-26(22)23-15-13-21(27(28,7-2)8-3)18-25(23)29(24,4)5/h11-18H,6-10,28H2,1-5H3.
What are the key properties of 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine?
3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine has a molecular weight of 401.67 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine is sourced from PubChem (CID 123395999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).