1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine

C16H30N2 — CID 64745065

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(CC2CC2)C2CC2)CC1C
InChIInChI=1S/C16H30N2/c1-12-7-8-16(11-17,9-13(12)2)18(15-5-6-15)10-14-3-4-14/h12-15H,3-11,17H2,1-2H3
InChIKeyMGCMXCAQRXVHQS-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.01
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 64745065) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID64745065
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(CC2CC2)C2CC2)CC1C
InChIInChI=1S/C16H30N2/c1-12-7-8-16(11-17,9-13(12)2)18(15-5-6-15)10-14-3-4-14/h12-15H,3-11,17H2,1-2H3
InChIKeyMGCMXCAQRXVHQS-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-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine
CID 65085096
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 64756767
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755328
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-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64745254
1-(aminomethyl)-N,3,4-trimethyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 64745055
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1,5-dimethylpyrrolidin-3-amine
CID 81467476
3-(aminomethyl)-N,N-bis(cyclopropylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467695
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-methylcyclobutan-1-amine
CID 103562943
1-(aminomethyl)-N,N-bis(cyclopropylmethyl)-3-ethylcyclopentan-1-amine
CID 64500122
1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 78995833

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine (CID 64745065) is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine is CC1CCC(CN)(N(CC2CC2)C2CC2)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is MGCMXCAQRXVHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-7-8-16(11-17,9-13(12)2)18(15-5-6-15)10-14-3-4-14/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-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)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64745065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).