N,N-bis(5-phenylpentyl)aniline

C28H35N — CID 173233703

IUPACN,N-bis(5-phenylpentyl)aniline
SMILESc1ccc(CCCCCN(CCCCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H35N/c1-6-16-26(17-7-1)20-10-4-14-24-29(28-22-12-3-13-23-28)25-15-5-11-21-27-18-8-2-9-19-27/h1-3,6-9,12-13,16-19,22-23H,4-5,10-11,14-15,20-21,24-25H2
InChIKeyRAXGXCPWFDJORR-UHFFFAOYSA-N
MW385.60 g/mol
LogP7.32
Rot. Bonds13

About N,N-bis(5-phenylpentyl)aniline

N,N-bis(5-phenylpentyl)aniline (PubChem CID 173233703) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is N,N-bis(5-phenylpentyl)aniline.

Molecular Properties

Compound NameN,N-bis(5-phenylpentyl)aniline
PubChem CID173233703
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC NameN,N-bis(5-phenylpentyl)aniline
SMILESc1ccc(CCCCCN(CCCCCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H35N/c1-6-16-26(17-7-1)20-10-4-14-24-29(28-22-12-3-13-23-28)25-15-5-11-21-27-18-8-2-9-19-27/h1-3,6-9,12-13,16-19,22-23H,4-5,10-11,14-15,20-21,24-25H2
InChIKeyRAXGXCPWFDJORR-UHFFFAOYSA-N
XLogP7.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(5-phenylpentyl)aniline
CID 18790289
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
4-phenylbutylbenzene
CID 141301927
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N-benzyl-N-(3-pyridin-4-ylpropyl)aniline
CID 155930711

Frequently Asked Questions

What is the IUPAC name of N,N-bis(5-phenylpentyl)aniline?
The IUPAC name of N,N-bis(5-phenylpentyl)aniline (CID 173233703) is N,N-bis(5-phenylpentyl)aniline.
What is the SMILES notation for N,N-bis(5-phenylpentyl)aniline?
The canonical SMILES for N,N-bis(5-phenylpentyl)aniline is c1ccc(CCCCCN(CCCCCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(5-phenylpentyl)aniline?
The InChIKey is RAXGXCPWFDJORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-6-16-26(17-7-1)20-10-4-14-24-29(28-22-12-3-13-23-28)25-15-5-11-21-27-18-8-2-9-19-27/h1-3,6-9,12-13,16-19,22-23H,4-5,10-11,14-15,20-21,24-25H2.
What are the key properties of N,N-bis(5-phenylpentyl)aniline?
N,N-bis(5-phenylpentyl)aniline has a molecular weight of 385.60 g/mol, XLogP of 7.32, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(5-phenylpentyl)aniline is sourced from PubChem (CID 173233703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).