N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine

C21H33NSi — CID 123463246

IUPACN-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine
SMILESCCCCCC1=C(N([SiH](C)c2ccccc2)C(C)(C)C)CC=C1
InChIInChI=1S/C21H33NSi/c1-6-7-9-13-18-14-12-17-20(18)22(21(2,3)4)23(5)19-15-10-8-11-16-19/h8,10-12,14-16,23H,6-7,9,13,17H2,1-5H3
InChIKeyMDOSGSCBZIYGLZ-UHFFFAOYSA-N
MW327.59 g/mol
LogP5.14
Rot. Bonds7

About N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine

N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine (PubChem CID 123463246) has the molecular formula C21H33NSi and a molecular weight of 327.59 g/mol. Its IUPAC name is N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine
PubChem CID123463246
Molecular FormulaC21H33NSi
Molecular Weight327.59 g/mol
Exact Mass327.24
IUPAC NameN-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine
SMILESCCCCCC1=C(N([SiH](C)c2ccccc2)C(C)(C)C)CC=C1
InChIInChI=1S/C21H33NSi/c1-6-7-9-13-18-14-12-17-20(18)22(21(2,3)4)23(5)19-15-10-8-11-16-19/h8,10-12,14-16,23H,6-7,9,13,17H2,1-5H3
InChIKeyMDOSGSCBZIYGLZ-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 150758352
N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
CID 23286701
[1-(2-ethylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140630327
(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
CID 174284789
hexyl-methyl-phenylsilane
CID 14945725
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
tert-butylbenzene;hexane
CID 175254424
(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
CID 140589095
[1-(2-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylpentyl]benzene
CID 140629994
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine (CID 123463246) is N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine is CCCCCC1=C(N([SiH](C)c2ccccc2)C(C)(C)C)CC=C1.
What is the InChIKey of N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine?
The InChIKey is MDOSGSCBZIYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NSi/c1-6-7-9-13-18-14-12-17-20(18)22(21(2,3)4)23(5)19-15-10-8-11-16-19/h8,10-12,14-16,23H,6-7,9,13,17H2,1-5H3.
What are the key properties of N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine?
N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine has a molecular weight of 327.59 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[methyl(phenyl)silyl]-2-pentylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 123463246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).