1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine

C13H26N2 — CID 65241485

IUPAC1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CCNCC2CC2)CCCCC1
InChIInChI=1S/C13H26N2/c1-14-13(7-3-2-4-8-13)9-10-15-11-12-5-6-12/h12,14-15H,2-11H2,1H3
InChIKeyTWUKGSCTKBCZSM-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine

1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine (PubChem CID 65241485) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine
PubChem CID65241485
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CCNCC2CC2)CCCCC1
InChIInChI=1S/C13H26N2/c1-14-13(7-3-2-4-8-13)9-10-15-11-12-5-6-12/h12,14-15H,2-11H2,1H3
InChIKeyTWUKGSCTKBCZSM-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[2-(oxan-2-ylmethylamino)ethyl]cyclohexan-1-amine
CID 65241444
1-cyclopropyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575528
1-[2-(cyclohexylamino)ethyl]-N-methylcyclohexan-1-amine
CID 65241332
1-[2-(cyclopentylamino)ethyl]-N-methylcyclohexan-1-amine
CID 65241436
1-cyclobutyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575370
4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one
CID 116575501
1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241545
1-(2-cyclopentylethyl)-N-methylcyclopropan-1-amine
CID 83682633
N-[(3-hydroxycyclopentyl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106133987
cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240602
N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline
CID 65241333
2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
CID 62932691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine (CID 65241485) is 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine is CNC1(CCNCC2CC2)CCCCC1.
What is the InChIKey of 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is TWUKGSCTKBCZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-14-13(7-3-2-4-8-13)9-10-15-11-12-5-6-12/h12,14-15H,2-11H2,1H3.
What are the key properties of 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine?
1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethylamino)ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65241485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).