N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine

C20H33NO — CID 138518982

IUPACN-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCN(Cc1ccc(OC)cc1)CC1CCCCC1
InChIInChI=1S/C20H33NO/c1-3-4-8-15-21(16-18-9-6-5-7-10-18)17-19-11-13-20(22-2)14-12-19/h11-14,18H,3-10,15-17H2,1-2H3
InChIKeyXPZDVNWRANWRIX-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.27
Rot. Bonds9

About N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine

N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 138518982) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine
PubChem CID138518982
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine
SMILESCCCCCN(Cc1ccc(OC)cc1)CC1CCCCC1
InChIInChI=1S/C20H33NO/c1-3-4-8-15-21(16-18-9-6-5-7-10-18)17-19-11-13-20(22-2)14-12-19/h11-14,18H,3-10,15-17H2,1-2H3
InChIKeyXPZDVNWRANWRIX-UHFFFAOYSA-N
XLogP5.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
N-butyl-N-(cyclohexylmethyl)-4-methoxyaniline
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4-[4-[[butyl(cyclohexylmethyl)amino]methyl]phenyl]benzoic acid
CID 68521425
(1R,2R,3R,5S)-N-butyl-6-[5-[[3-[4-[cyclohexylmethyl-[(4-methoxyphenyl)methyl]amino]butyl]cyclopentyl]-[(4-methoxyphenyl)methyl]amino]pentyl]-N-[(4-methoxyphenyl)methyl]-2,6-dimethylbicyclo[3.1.1]heptan-3-amine
CID 155056888
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 69062995
butane;ethane;ethylcyclopentane;(4-methoxyphenyl)methanol
CID 143474239
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 55446420
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine (CID 138518982) is N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine is CCCCCN(Cc1ccc(OC)cc1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is XPZDVNWRANWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-4-8-15-21(16-18-9-6-5-7-10-18)17-19-11-13-20(22-2)14-12-19/h11-14,18H,3-10,15-17H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 303.49 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 138518982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).