2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one

C14H28N2O — CID 77024566

IUPAC2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1CCCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-11-7-6-9-16(10-8-11)13(17)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyKTPRYOMAHBZESD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds2

About 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one

2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 77024566) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
PubChem CID77024566
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
SMILESCCC1CCCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-5-11-7-6-9-16(10-8-11)13(17)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyKTPRYOMAHBZESD-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]butan-1-one
CID 119735035
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]acetamide;hydrochloride
CID 119727585
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
(2S)-2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119851985
(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119776125
4-amino-5-(4-ethylazepan-1-yl)-5-oxopentanoic acid
CID 64890724
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
3-(4-ethylazepan-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821966
N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 119761645
(2S)-2-amino-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61164403
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one (CID 77024566) is 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one is CCC1CCCN(C(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is KTPRYOMAHBZESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-11-7-6-9-16(10-8-11)13(17)12(15)14(2,3)4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one?
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 77024566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).