N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine

C26H27NSi — CID 137231043

IUPACN,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine
SMILESCN(C)CC1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C26H27NSi/c1-27(2)21-22-13-12-20-26(22)28(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-19H,20-21H2,1-2H3
InChIKeyMJXGXDAPFZGJJU-UHFFFAOYSA-N
MW381.60 g/mol
LogP3.51
Rot. Bonds6

About N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine

N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine (PubChem CID 137231043) has the molecular formula C26H27NSi and a molecular weight of 381.60 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine
PubChem CID137231043
Molecular FormulaC26H27NSi
Molecular Weight381.60 g/mol
Exact Mass381.19
IUPAC NameN,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine
SMILESCN(C)CC1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C26H27NSi/c1-27(2)21-22-13-12-20-26(22)28(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-19H,20-21H2,1-2H3
InChIKeyMJXGXDAPFZGJJU-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.60
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine with MolForge

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Related Compounds

(2-benzylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)-diphenylsilane
CID 173383727
(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
CID 123467419
(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636
(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
CID 140589095
bis(4-butylphenyl)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 123322742
N-[2-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-yl]aniline
CID 68544276
1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)-N,N-dimethylmethanamine
CID 12658202
1-[2-[2-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]ethanol;titanium(2+);dichloride
CID 87493909
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methanol
CID 137194551
tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588420
N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
CID 23286701

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine (CID 137231043) is N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine is CN(C)CC1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1.
What is the InChIKey of N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine?
The InChIKey is MJXGXDAPFZGJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NSi/c1-27(2)21-22-13-12-20-26(22)28(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25/h3-19H,20-21H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine?
N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine has a molecular weight of 381.60 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-triphenylsilylcyclopenta-1,4-dien-1-yl)methanamine is sourced from PubChem (CID 137231043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).