2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine

C15H32N2 — CID 104690375

IUPAC2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine
SMILESCCC1CCCCCN1CC(CC)(CC)CN
InChIInChI=1S/C15H32N2/c1-4-14-10-8-7-9-11-17(14)13-15(5-2,6-3)12-16/h14H,4-13,16H2,1-3H3
InChIKeyMOIPHKPSAHQBHZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.41
Rot. Bonds6

About 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine

2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine (PubChem CID 104690375) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine
PubChem CID104690375
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine
SMILESCCC1CCCCCN1CC(CC)(CC)CN
InChIInChI=1S/C15H32N2/c1-4-14-10-8-7-9-11-17(14)13-15(5-2,6-3)12-16/h14H,4-13,16H2,1-3H3
InChIKeyMOIPHKPSAHQBHZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(2-ethylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62278340
2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butane-1-thiol
CID 104692967
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
CID 62889896
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-ethylbutan-1-amine
CID 65324892
1,2-diethylpiperidine
CID 19604037
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
2-ethyl-2-(2-ethylpiperidin-1-yl)butan-1-amine
CID 43266390
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690353
2-methyl-2-[(2-propylpiperidin-1-yl)methyl]butan-1-amine
CID 83055635

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine (CID 104690375) is 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine is CCC1CCCCCN1CC(CC)(CC)CN.
What is the InChIKey of 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine?
The InChIKey is MOIPHKPSAHQBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-14-10-8-7-9-11-17(14)13-15(5-2,6-3)12-16/h14H,4-13,16H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine?
2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 104690375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).