1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine

C16H30N2 — CID 65085096

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(CN)(N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C16H30N2/c1-13-3-2-9-16(12-17,10-8-13)18(15-6-7-15)11-14-4-5-14/h13-15H,2-12,17H2,1H3
InChIKeyFUQREISYYIHITH-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine (PubChem CID 65085096) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine
PubChem CID65085096
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(CN)(N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C16H30N2/c1-13-3-2-9-16(12-17,10-8-13)18(15-6-7-15)11-14-4-5-14/h13-15H,2-12,17H2,1H3
InChIKeyFUQREISYYIHITH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine
CID 65089610
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65089199
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 64745065
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755328
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 64756767
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-butyl-N-cyclopropyl-4-ethylcycloheptan-1-amine
CID 65087923
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
1-(aminomethyl)-N,4-dimethyl-N-propylcycloheptan-1-amine
CID 65084771
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
CID 63471584

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine (CID 65085096) is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine is CC1CCCC(CN)(N(CC2CC2)C2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine?
The InChIKey is FUQREISYYIHITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-3-2-9-16(12-17,10-8-13)18(15-6-7-15)11-14-4-5-14/h13-15H,2-12,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-methylcycloheptan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 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)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65085096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).