2-cyclohexyl-1-cyclopropyl-N-methylethanamine

C12H23N — CID 62600401

IUPAC2-cyclohexyl-1-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)C1CC1
InChIInChI=1S/C12H23N/c1-13-12(11-7-8-11)9-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3
InChIKeyVQTQWTULYYCDBQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds4

About 2-cyclohexyl-1-cyclopropyl-N-methylethanamine

2-cyclohexyl-1-cyclopropyl-N-methylethanamine (PubChem CID 62600401) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-cyclopropyl-N-methylethanamine
PubChem CID62600401
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-cyclohexyl-1-cyclopropyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)C1CC1
InChIInChI=1S/C12H23N/c1-13-12(11-7-8-11)9-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3
InChIKeyVQTQWTULYYCDBQ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dicyclopentyl-N-methylethanamine
CID 62601762
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
CID 105187447
(2-cycloheptyl-1-cyclopropylethyl)hydrazine
CID 105314505
(2-cyclohexyl-1-cyclopropylethyl)hydrazine
CID 105202415
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
1-cyclopentyl-N-methyl-2-piperidin-3-ylethanamine
CID 116951767
(1-cycloheptyl-2-cyclohexylethyl)hydrazine
CID 105231955
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
2-cyclohexyl-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188288

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-cyclopropyl-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-1-cyclopropyl-N-methylethanamine (CID 62600401) is 2-cyclohexyl-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-1-cyclopropyl-N-methylethanamine is CNC(CC1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclohexyl-1-cyclopropyl-N-methylethanamine?
The InChIKey is VQTQWTULYYCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-13-12(11-7-8-11)9-10-5-3-2-4-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-1-cyclopropyl-N-methylethanamine?
2-cyclohexyl-1-cyclopropyl-N-methylethanamine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 62600401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).