N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine

C40H55N — CID 167044300

IUPACN-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine
SMILESC=C(CC)CCCCCCC(=C)NCC(C)CCC(c1ccccc1)(c1ccc(CC)cc1)c1ccc(CC)cc1
InChIInChI=1S/C40H55N/c1-7-32(4)17-13-10-11-14-18-34(6)41-31-33(5)29-30-40(37-19-15-12-16-20-37,38-25-21-35(8-2)22-26-38)39-27-23-36(9-3)24-28-39/h12,15-16,19-28,33,41H,4,6-11,13-14,17-18,29-31H2,1-3,5H3
InChIKeyDFCZPEQHRMCRKK-UHFFFAOYSA-N
MW549.89 g/mol
LogP10.97
Rot. Bonds19

About N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine

N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine (PubChem CID 167044300) has the molecular formula C40H55N and a molecular weight of 549.89 g/mol. Its IUPAC name is N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine.

Molecular Properties

Compound NameN-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine
PubChem CID167044300
Molecular FormulaC40H55N
Molecular Weight549.89 g/mol
Exact Mass549.43
IUPAC NameN-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine
SMILESC=C(CC)CCCCCCC(=C)NCC(C)CCC(c1ccccc1)(c1ccc(CC)cc1)c1ccc(CC)cc1
InChIInChI=1S/C40H55N/c1-7-32(4)17-13-10-11-14-18-34(6)41-31-33(5)29-30-40(37-19-15-12-16-20-37,38-25-21-35(8-2)22-26-38)39-27-23-36(9-3)24-28-39/h12,15-16,19-28,33,41H,4,6-11,13-14,17-18,29-31H2,1-3,5H3
InChIKeyDFCZPEQHRMCRKK-UHFFFAOYSA-N
XLogP10.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.89
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine
CID 134189171
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
N-methyl-5-methylidene-1-phenylheptan-1-amine
CID 66037848
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82010200
4-[[2-(4-ethylphenyl)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 120689707
2-methyl-5-methylidene-2-phenylheptan-3-one
CID 66044807
2-methylidene-N-(2-phenylpropyl)butan-1-amine
CID 104591378
4,4,4-triphenylbutane-1,1-diamine
CID 70294591
ethylbenzene;molybdenum
CID 161189179
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
N-benzyl-2-methylicosan-1-amine
CID 67811057
methylidene(8,8,8-triphenyloctanoyl)phosphanium
CID 154191945

Frequently Asked Questions

What is the IUPAC name of N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine?
The IUPAC name of N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine (CID 167044300) is N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine.
What is the SMILES notation for N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine?
The canonical SMILES for N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine is C=C(CC)CCCCCCC(=C)NCC(C)CCC(c1ccccc1)(c1ccc(CC)cc1)c1ccc(CC)cc1.
What is the InChIKey of N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine?
The InChIKey is DFCZPEQHRMCRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55N/c1-7-32(4)17-13-10-11-14-18-34(6)41-31-33(5)29-30-40(37-19-15-12-16-20-37,38-25-21-35(8-2)22-26-38)39-27-23-36(9-3)24-28-39/h12,15-16,19-28,33,41H,4,6-11,13-14,17-18,29-31H2,1-3,5H3.
What are the key properties of N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine?
N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine has a molecular weight of 549.89 g/mol, XLogP of 10.97, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-bis(4-ethylphenyl)-2-methyl-5-phenylpentyl]-9-methylideneundec-1-en-2-amine is sourced from PubChem (CID 167044300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).