1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine

C18H34N2 — CID 65089199

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(CN)(N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C18H34N2/c1-14(2)16-4-3-10-18(13-19,11-9-16)20(17-7-8-17)12-15-5-6-15/h14-17H,3-13,19H2,1-2H3
InChIKeyKIXKNCSBJUKECR-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.79
Rot. Bonds6

About 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65089199) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65089199
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(CN)(N(CC2CC2)C2CC2)CC1
InChIInChI=1S/C18H34N2/c1-14(2)16-4-3-10-18(13-19,11-9-16)20(17-7-8-17)12-15-5-6-15/h14-17H,3-13,19H2,1-2H3
InChIKeyKIXKNCSBJUKECR-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.79
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-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
1-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(cyclopropylmethyl)cycloheptan-1-amine
CID 65089610
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755328
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 64745065
1-(aminomethyl)-N-butyl-N-cyclopropyl-4-ethylcycloheptan-1-amine
CID 65087923
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-butyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091297
1-(aminomethyl)-N-cyclopropyl-N-ethylcyclooctan-1-amine
CID 43264050
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 64756767

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine (CID 65089199) is 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(CN)(N(CC2CC2)C2CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is KIXKNCSBJUKECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14(2)16-4-3-10-18(13-19,11-9-16)20(17-7-8-17)12-15-5-6-15/h14-17H,3-13,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.79, 6 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-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65089199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).