[1-(4-ethylcyclohexyl)cyclopropyl]methanamine

C12H23N — CID 130515219

IUPAC[1-(4-ethylcyclohexyl)cyclopropyl]methanamine
SMILESCCC1CCC(C2(CN)CC2)CC1
InChIInChI=1S/C12H23N/c1-2-10-3-5-11(6-4-10)12(9-13)7-8-12/h10-11H,2-9,13H2,1H3
InChIKeyKDACXSZQRPFWIQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds3

About [1-(4-ethylcyclohexyl)cyclopropyl]methanamine

[1-(4-ethylcyclohexyl)cyclopropyl]methanamine (PubChem CID 130515219) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is [1-(4-ethylcyclohexyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylcyclohexyl)cyclopropyl]methanamine
PubChem CID130515219
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name[1-(4-ethylcyclohexyl)cyclopropyl]methanamine
SMILESCCC1CCC(C2(CN)CC2)CC1
InChIInChI=1S/C12H23N/c1-2-10-3-5-11(6-4-10)12(9-13)7-8-12/h10-11H,2-9,13H2,1H3
InChIKeyKDACXSZQRPFWIQ-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylcyclohexyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-ethylcyclohexyl)cyclopropyl]methanamine (CID 130515219) is [1-(4-ethylcyclohexyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-ethylcyclohexyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-ethylcyclohexyl)cyclopropyl]methanamine is CCC1CCC(C2(CN)CC2)CC1.
What is the InChIKey of [1-(4-ethylcyclohexyl)cyclopropyl]methanamine?
The InChIKey is KDACXSZQRPFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-10-3-5-11(6-4-10)12(9-13)7-8-12/h10-11H,2-9,13H2,1H3.
What are the key properties of [1-(4-ethylcyclohexyl)cyclopropyl]methanamine?
[1-(4-ethylcyclohexyl)cyclopropyl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylcyclohexyl)cyclopropyl]methanamine is sourced from PubChem (CID 130515219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).