N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine

C16H31N — CID 65420427

IUPACN-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1C)C1CCCCC1CC
InChIInChI=1S/C16H31N/c1-4-10-17-16(15-11-12(15)3)14-9-7-6-8-13(14)5-2/h12-17H,4-11H2,1-3H3
InChIKeyQYOXVBBJPDKBNX-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds6

About N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine

N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 65420427) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID65420427
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(C1CC1C)C1CCCCC1CC
InChIInChI=1S/C16H31N/c1-4-10-17-16(15-11-12(15)3)14-9-7-6-8-13(14)5-2/h12-17H,4-11H2,1-3H3
InChIKeyQYOXVBBJPDKBNX-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65420824
N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
CID 112690220
2-ethyl-1-(2-ethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
CID 116761523
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-(2-ethylcyclohexyl)-4-methoxy-N-propylbutan-1-amine
CID 65092174
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[(2,6-difluorophenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 79515623
N-[(2-ethylcyclohexyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387131
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
3-(2-ethylcyclohexyl)-N-methylbutan-1-amine
CID 81012957

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine (CID 65420427) is N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(C1CC1C)C1CCCCC1CC.
What is the InChIKey of N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is QYOXVBBJPDKBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-10-17-16(15-11-12(15)3)14-9-7-6-8-13(14)5-2/h12-17H,4-11H2,1-3H3.
What are the key properties of N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylcyclohexyl)-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 65420427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).