[2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine

C16H30N2 — CID 104689190

IUPAC[2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCCC1CCCCCN1C1(CN)CC2CCC1C2
InChIInChI=1S/C16H30N2/c1-2-15-6-4-3-5-9-18(15)16(12-17)11-13-7-8-14(16)10-13/h13-15H,2-12,17H2,1H3
InChIKeyYWKHQOXFULWURD-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds3

About [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine

[2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 104689190) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID104689190
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name[2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCCC1CCCCCN1C1(CN)CC2CCC1C2
InChIInChI=1S/C16H30N2/c1-2-15-6-4-3-5-9-18(15)16(12-17)11-13-7-8-14(16)10-13/h13-15H,2-12,17H2,1H3
InChIKeyYWKHQOXFULWURD-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

[3-(2-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 104689394
[1-(2-ethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106821751
[4-(2-ethylazepan-1-yl)thian-4-yl]methanamine
CID 104689235
[4-(2-ethylpiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43266395
[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
CID 104689369
[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 107391109
[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045929
[1-(2-ethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63470394
[4-ethyl-1-(2-ethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65088511
[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64758210
[3-methyl-1-(2-propylpiperidin-1-yl)cyclobutyl]methanamine
CID 103563116
[1-(2-ethylpyrrolidin-1-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103562653

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 104689190) is [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine is CCC1CCCCCN1C1(CN)CC2CCC1C2.
What is the InChIKey of [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is YWKHQOXFULWURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-15-6-4-3-5-9-18(15)16(12-17)11-13-7-8-14(16)10-13/h13-15H,2-12,17H2,1H3.
What are the key properties of [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 104689190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).