[1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine

C18H36N2 — CID 64500321

IUPAC[1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-5-15-8-10-18(13-15,14-19)20-11-6-7-16(9-12-20)17(2,3)4/h15-16H,5-14,19H2,1-4H3
InChIKeyWBJKDRVTXHVFOY-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds3

About [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine

[1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine (PubChem CID 64500321) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine
PubChem CID64500321
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine
SMILESCCC1CCC(CN)(N2CCCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-5-15-8-10-18(13-15,14-19)20-11-6-7-16(9-12-20)17(2,3)4/h15-16H,5-14,19H2,1-4H3
InChIKeyWBJKDRVTXHVFOY-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine?
The IUPAC name of [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine (CID 64500321) is [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine is CCC1CCC(CN)(N2CCCC(C(C)(C)C)CC2)C1.
What is the InChIKey of [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine?
The InChIKey is WBJKDRVTXHVFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-15-8-10-18(13-15,14-19)20-11-6-7-16(9-12-20)17(2,3)4/h15-16H,5-14,19H2,1-4H3.
What are the key properties of [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine?
[1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylazepan-1-yl)-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 64500321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).