1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine

C18H36N2 — CID 107397782

IUPAC1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C18H36N2/c1-4-20(13-16-7-5-8-16)18(14-19)11-6-9-17(10-12-18)15(2)3/h15-17H,4-14,19H2,1-3H3
InChIKeyKUJJIBSVTXYKNJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds6

About 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine

1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine (PubChem CID 107397782) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
PubChem CID107397782
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCCC(C(C)C)CC1
InChIInChI=1S/C18H36N2/c1-4-20(13-16-7-5-8-16)18(14-19)11-6-9-17(10-12-18)15(2)3/h15-17H,4-14,19H2,1-3H3
InChIKeyKUJJIBSVTXYKNJ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine (CID 107397782) is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine is CCN(CC1CCC1)C1(CN)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is KUJJIBSVTXYKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-20(13-16-7-5-8-16)18(14-19)11-6-9-17(10-12-18)15(2)3/h15-17H,4-14,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine?
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 107397782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).