6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one

C15H30N2O — CID 113441676

IUPAC6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one
SMILESCCC1CCCCCN1C(=O)CCC(C)CCN
InChIInChI=1S/C15H30N2O/c1-3-14-7-5-4-6-12-17(14)15(18)9-8-13(2)10-11-16/h13-14H,3-12,16H2,1-2H3
InChIKeyRTXPDFPWORRVRC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.93
Rot. Bonds6

About 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one

6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one (PubChem CID 113441676) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one
PubChem CID113441676
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one
SMILESCCC1CCCCCN1C(=O)CCC(C)CCN
InChIInChI=1S/C15H30N2O/c1-3-14-7-5-4-6-12-17(14)15(18)9-8-13(2)10-11-16/h13-14H,3-12,16H2,1-2H3
InChIKeyRTXPDFPWORRVRC-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
5-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82682909
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 66220336
1-[2-(aminomethyl)azepan-1-yl]-4-methoxypentan-1-one
CID 116640028
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
6-amino-4-methyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-one
CID 79931507
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one (CID 113441676) is 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one is CCC1CCCCCN1C(=O)CCC(C)CCN.
What is the InChIKey of 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one?
The InChIKey is RTXPDFPWORRVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-14-7-5-4-6-12-17(14)15(18)9-8-13(2)10-11-16/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one?
6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one is sourced from PubChem (CID 113441676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).