1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine

C14H30N2 — CID 104690407

IUPAC1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)CN1CCCCCC1CC
InChIInChI=1S/C14H30N2/c1-4-10-14(3,15)12-16-11-8-6-7-9-13(16)5-2/h13H,4-12,15H2,1-3H3
InChIKeyBDUXLEKQAYVTFW-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine

1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine (PubChem CID 104690407) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
PubChem CID104690407
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
SMILESCCCC(C)(N)CN1CCCCCC1CC
InChIInChI=1S/C14H30N2/c1-4-10-14(3,15)12-16-11-8-6-7-9-13(16)5-2/h13H,4-12,15H2,1-3H3
InChIKeyBDUXLEKQAYVTFW-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentanal
CID 104691907
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277726
2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butan-1-amine
CID 104690375
2-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-1-ol
CID 104692730
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
2-ethyl-2-[(2-ethylazepan-1-yl)methyl]butane-1-thiol
CID 104692967
1,2-diethylpiperidine
CID 19604037
ethyl 3-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)propanoate
CID 104691578
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
CID 104692736
1-amino-6-(2-ethylazepan-1-yl)-2-methylhexan-2-ol
CID 104692759

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine?
The IUPAC name of 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine (CID 104690407) is 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine is CCCC(C)(N)CN1CCCCCC1CC.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine?
The InChIKey is BDUXLEKQAYVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-10-14(3,15)12-16-11-8-6-7-9-13(16)5-2/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine?
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine is sourced from PubChem (CID 104690407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).