N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine

C16H31N — CID 64986298

IUPACN-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC1)C1CCC(CC)CC1
InChIInChI=1S/C16H31N/c1-3-12-17-16(14-6-5-7-14)15-10-8-13(4-2)9-11-15/h13-17H,3-12H2,1-2H3
InChIKeyVZDWNLBGRCCOJN-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds6

About N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine

N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 64986298) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID64986298
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1CCC1)C1CCC(CC)CC1
InChIInChI=1S/C16H31N/c1-3-12-17-16(14-6-5-7-14)15-10-8-13(4-2)9-11-15/h13-17H,3-12H2,1-2H3
InChIKeyVZDWNLBGRCCOJN-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[(4-ethylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65329706
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
4-(4-ethylcyclohexyl)-N-propylpentan-2-amine
CID 64774084
1-(3-ethylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65394157
1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778
N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
CID 177368161
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine (CID 64986298) is N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(C1CCC1)C1CCC(CC)CC1.
What is the InChIKey of N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is VZDWNLBGRCCOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-3-12-17-16(14-6-5-7-14)15-10-8-13(4-2)9-11-15/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine?
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 64986298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).