N-[cyclohexyl(phenyl)methyl]pentan-2-amine

C18H29N — CID 43103715

IUPACN-[cyclohexyl(phenyl)methyl]pentan-2-amine
SMILESCCCC(C)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-10-15(2)19-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4,6-7,11-12,15,17-19H,3,5,8-10,13-14H2,1-2H3
InChIKeyRKEUJJCBQVACSR-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.09
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]pentan-2-amine

N-[cyclohexyl(phenyl)methyl]pentan-2-amine (PubChem CID 43103715) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]pentan-2-amine
PubChem CID43103715
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[cyclohexyl(phenyl)methyl]pentan-2-amine
SMILESCCCC(C)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-10-15(2)19-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4,6-7,11-12,15,17-19H,3,5,8-10,13-14H2,1-2H3
InChIKeyRKEUJJCBQVACSR-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
N-[cyclopropyl(phenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534404
N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
CID 114160919
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol
CID 107864962
N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
CID 63477442
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
1-cyclohexylpentan-2-ylbenzene
CID 139744385
N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79107738

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]pentan-2-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]pentan-2-amine (CID 43103715) is N-[cyclohexyl(phenyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]pentan-2-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]pentan-2-amine is CCCC(C)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]pentan-2-amine?
The InChIKey is RKEUJJCBQVACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-10-15(2)19-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4,6-7,11-12,15,17-19H,3,5,8-10,13-14H2,1-2H3.
What are the key properties of N-[cyclohexyl(phenyl)methyl]pentan-2-amine?
N-[cyclohexyl(phenyl)methyl]pentan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]pentan-2-amine is sourced from PubChem (CID 43103715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).