N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine

C22H31N — CID 173290484

IUPACN-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
SMILESCCCCC(c1ccccc1)N(C)CCC(C)c1ccccc1
InChIInChI=1S/C22H31N/c1-4-5-16-22(21-14-10-7-11-15-21)23(3)18-17-19(2)20-12-8-6-9-13-20/h6-15,19,22H,4-5,16-18H2,1-3H3
InChIKeyKRPLWDKPBCOIAT-UHFFFAOYSA-N
MW309.50 g/mol
LogP6.04
Rot. Bonds9

About N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine

N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine (PubChem CID 173290484) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
PubChem CID173290484
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
SMILESCCCCC(c1ccccc1)N(C)CCC(C)c1ccccc1
InChIInChI=1S/C22H31N/c1-4-5-16-22(21-14-10-7-11-15-21)23(3)18-17-19(2)20-12-8-6-9-13-20/h6-15,19,22H,4-5,16-18H2,1-3H3
InChIKeyKRPLWDKPBCOIAT-UHFFFAOYSA-N
XLogP6.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
CID 115317343
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
pentan-2-ylbenzene
CID 17627
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
1-hexan-2-yl-4-phenylbenzene
CID 57161678
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
N'-ethyl-N,N-dimethyl-N'-[(3S)-3-phenylbutyl]ethane-1,2-diamine
CID 2059338
N,N-dimethyl-1,3-diphenylheptan-1-amine
CID 165348529

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine?
The IUPAC name of N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine (CID 173290484) is N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine is CCCCC(c1ccccc1)N(C)CCC(C)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine?
The InChIKey is KRPLWDKPBCOIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-4-5-16-22(21-14-10-7-11-15-21)23(3)18-17-19(2)20-12-8-6-9-13-20/h6-15,19,22H,4-5,16-18H2,1-3H3.
What are the key properties of N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine?
N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine is sourced from PubChem (CID 173290484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).