6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine

C36H51N — CID 21451220

IUPAC6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
SMILESc1ccc(CCCCCCN(CCCCCCc2ccccc2)CCCCCCc2ccccc2)cc1
InChIInChI=1S/C36H51N/c1(10-22-34-25-13-7-14-26-34)4-19-31-37(32-20-5-2-11-23-35-27-15-8-16-28-35)33-21-6-3-12-24-36-29-17-9-18-30-36/h7-9,13-18,25-30H,1-6,10-12,19-24,31-33H2
InChIKeyRCAMMTAGOMZQNK-UHFFFAOYSA-N
MW497.81 g/mol
LogP9.70
Rot. Bonds21

About 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine

6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine (PubChem CID 21451220) has the molecular formula C36H51N and a molecular weight of 497.81 g/mol. Its IUPAC name is 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine.

Molecular Properties

Compound Name6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
PubChem CID21451220
Molecular FormulaC36H51N
Molecular Weight497.81 g/mol
Exact Mass497.40
IUPAC Name6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
SMILESc1ccc(CCCCCCN(CCCCCCc2ccccc2)CCCCCCc2ccccc2)cc1
InChIInChI=1S/C36H51N/c1(10-22-34-25-13-7-14-26-34)4-19-31-37(32-20-5-2-11-23-35-27-15-8-16-28-35)33-21-6-3-12-24-36-29-17-9-18-30-36/h7-9,13-18,25-30H,1-6,10-12,19-24,31-33H2
InChIKeyRCAMMTAGOMZQNK-UHFFFAOYSA-N
XLogP9.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-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

N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
2-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
4-phenylbutylbenzene
CID 141301927
N,N-bis(5-phenylpentyl)aniline
CID 173233703
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine?
The IUPAC name of 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine (CID 21451220) is 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine.
What is the SMILES notation for 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine?
The canonical SMILES for 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine is c1ccc(CCCCCCN(CCCCCCc2ccccc2)CCCCCCc2ccccc2)cc1.
What is the InChIKey of 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine?
The InChIKey is RCAMMTAGOMZQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N/c1(10-22-34-25-13-7-14-26-34)4-19-31-37(32-20-5-2-11-23-35-27-15-8-16-28-35)33-21-6-3-12-24-36-29-17-9-18-30-36/h7-9,13-18,25-30H,1-6,10-12,19-24,31-33H2.
What are the key properties of 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine?
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine has a molecular weight of 497.81 g/mol, XLogP of 9.70, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine is sourced from PubChem (CID 21451220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).