1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine

C16H30N2 — CID 64756767

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(CC2CC2)C2CC2)C1C
InChIInChI=1S/C16H30N2/c1-12-4-3-9-16(11-17,13(12)2)18(15-7-8-15)10-14-5-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeyPDMCQJVVZXQWIZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.01
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 64756767) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID64756767
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(CC2CC2)C2CC2)C1C
InChIInChI=1S/C16H30N2/c1-12-4-3-9-16(11-17,13(12)2)18(15-7-8-15)10-14-5-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeyPDMCQJVVZXQWIZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64763172
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 64745065
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine
CID 65085096
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 65045427
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65089199
1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine
CID 65089610
1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64762965
1-(aminomethyl)-2,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylcyclohexan-1-amine
CID 79483197
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine
CID 63955339
1-(aminomethyl)-N-butyl-N-cyclopropyl-2-methylcyclopentan-1-amine
CID 65044786
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
CID 65045428
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755328

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine (CID 64756767) is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine is CC1CCCC(CN)(N(CC2CC2)C2CC2)C1C.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is PDMCQJVVZXQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-4-3-9-16(11-17,13(12)2)18(15-7-8-15)10-14-5-6-14/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64756767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).