3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C16H34N2 — CID 104692283

IUPAC3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCC1CCCCCN1CC(C)CNCC(C)C
InChIInChI=1S/C16H34N2/c1-5-16-9-7-6-8-10-18(16)13-15(4)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyLJAZIFIRWKYVRM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine

3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 104692283) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID104692283
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCC1CCCCCN1CC(C)CNCC(C)C
InChIInChI=1S/C16H34N2/c1-5-16-9-7-6-8-10-18(16)13-15(4)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3
InChIKeyLJAZIFIRWKYVRM-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62417620
N-[3-(2-ethylpyrrolidin-1-yl)-2-methylpropyl]cyclopropanamine
CID 62438600
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62425984
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579838
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 102728554
3-(2-ethylazepan-1-yl)-2-methylpropanal
CID 112545832
N-[2-(2-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62417609
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439
7-(2-ethylpiperidin-1-yl)-6-methylheptan-2-amine
CID 65296116
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
CID 43266432

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 104692283) is 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CCC1CCCCCN1CC(C)CNCC(C)C.
What is the InChIKey of 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is LJAZIFIRWKYVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-16-9-7-6-8-10-18(16)13-15(4)12-17-11-14(2)3/h14-17H,5-13H2,1-4H3.
What are the key properties of 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylazepan-1-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 104692283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).