[1-(2-cyclohexylethyl)cycloheptyl]methanamine

C16H31N — CID 114193187

IUPAC[1-(2-cyclohexylethyl)cycloheptyl]methanamine
SMILESNCC1(CCC2CCCCC2)CCCCCC1
InChIInChI=1S/C16H31N/c17-14-16(11-6-1-2-7-12-16)13-10-15-8-4-3-5-9-15/h15H,1-14,17H2
InChIKeySVFGNEKUAUGCFC-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.65
Rot. Bonds4

About [1-(2-cyclohexylethyl)cycloheptyl]methanamine

[1-(2-cyclohexylethyl)cycloheptyl]methanamine (PubChem CID 114193187) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is [1-(2-cyclohexylethyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclohexylethyl)cycloheptyl]methanamine
PubChem CID114193187
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name[1-(2-cyclohexylethyl)cycloheptyl]methanamine
SMILESNCC1(CCC2CCCCC2)CCCCCC1
InChIInChI=1S/C16H31N/c17-14-16(11-6-1-2-7-12-16)13-10-15-8-4-3-5-9-15/h15H,1-14,17H2
InChIKeySVFGNEKUAUGCFC-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(aminomethyl)cyclohexyl]methanamine;[3-(aminomethyl)cyclohexyl]methanamine
CID 69118044
2-[1-(2-cycloheptylethyl)cyclohexyl]-N-ethylethanamine
CID 166645012
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]cycloheptanamine
CID 113440233
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821
[1-(3,3-dimethylbutyl)cyclooctyl]methanamine
CID 80603562
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
2-cycloheptatriacontylethanamine
CID 70967764
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
3-[1-(aminomethyl)cyclohexyl]propan-1-ol
CID 169495228
(1-pentylcyclopentyl)methanamine
CID 62725889

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylethyl)cycloheptyl]methanamine?
The IUPAC name of [1-(2-cyclohexylethyl)cycloheptyl]methanamine (CID 114193187) is [1-(2-cyclohexylethyl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2-cyclohexylethyl)cycloheptyl]methanamine?
The canonical SMILES for [1-(2-cyclohexylethyl)cycloheptyl]methanamine is NCC1(CCC2CCCCC2)CCCCCC1.
What is the InChIKey of [1-(2-cyclohexylethyl)cycloheptyl]methanamine?
The InChIKey is SVFGNEKUAUGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c17-14-16(11-6-1-2-7-12-16)13-10-15-8-4-3-5-9-15/h15H,1-14,17H2.
What are the key properties of [1-(2-cyclohexylethyl)cycloheptyl]methanamine?
[1-(2-cyclohexylethyl)cycloheptyl]methanamine has a molecular weight of 237.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylethyl)cycloheptyl]methanamine is sourced from PubChem (CID 114193187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).