1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine

C18H30N2 — CID 79066143

IUPAC1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)CCCc2ccccc2)CCCCC1
InChIInChI=1S/C18H30N2/c1-20(2)18(14-7-4-8-15-18)17(19)13-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,17H,4,7-9,12-15,19H2,1-2H3
InChIKeyPDNFTHPKSKXPCM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds6

About 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine

1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066143) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine
PubChem CID79066143
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)CCCc2ccccc2)CCCCC1
InChIInChI=1S/C18H30N2/c1-20(2)18(14-7-4-8-15-18)17(19)13-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,17H,4,7-9,12-15,19H2,1-2H3
InChIKeyPDNFTHPKSKXPCM-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
CID 115849307
1-(1-aminopentyl)-N,N-dimethylcyclohexan-1-amine
CID 79066659
1-(1-amino-5-methylhexyl)-N,N-dimethylcyclohexan-1-amine
CID 83160951
1-(1-hydrazinyl-3-phenylpropyl)-N,N-dimethylcyclopentan-1-amine
CID 105242308
1-(1-amino-4-methoxybutyl)-N,N-dimethylcycloheptan-1-amine
CID 114856330
1-(1-aminooctyl)-N,N-dimethylcyclopentan-1-amine
CID 79067548
1-(1-amino-4-ethylsulfonylbutyl)-N,N-dimethylcycloheptan-1-amine
CID 79080747
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-(1-aminohex-5-enyl)-N,N-dimethylcyclopentan-1-amine
CID 79070597
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine (CID 79066143) is 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)CCCc2ccccc2)CCCCC1.
What is the InChIKey of 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine?
The InChIKey is PDNFTHPKSKXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-20(2)18(14-7-4-8-15-18)17(19)13-9-12-16-10-5-3-6-11-16/h3,5-6,10-11,17H,4,7-9,12-15,19H2,1-2H3.
What are the key properties of 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine?
1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).