[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

C16H31N3 — CID 105365192

IUPAC[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCCC1CCCN(C2(CN)CCN3CCC2C3)CC1
InChIInChI=1S/C16H31N3/c1-2-14-4-3-8-19(10-5-14)16(13-17)7-11-18-9-6-15(16)12-18/h14-15H,2-13,17H2,1H3
InChIKeyFZCYDEZQIIETNW-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds3

About [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (PubChem CID 105365192) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
PubChem CID105365192
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCCC1CCCN(C2(CN)CCN3CCC2C3)CC1
InChIInChI=1S/C16H31N3/c1-2-14-4-3-8-19(10-5-14)16(13-17)7-11-18-9-6-15(16)12-18/h14-15H,2-13,17H2,1H3
InChIKeyFZCYDEZQIIETNW-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The IUPAC name of [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (CID 105365192) is [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.
What is the SMILES notation for [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The canonical SMILES for [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is CCC1CCCN(C2(CN)CCN3CCC2C3)CC1.
What is the InChIKey of [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The InChIKey is FZCYDEZQIIETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-14-4-3-8-19(10-5-14)16(13-17)7-11-18-9-6-15(16)12-18/h14-15H,2-13,17H2,1H3.
What are the key properties of [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
[4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylazepan-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is sourced from PubChem (CID 105365192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).