(3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one

C14H26N2O — CID 99611844

IUPAC(3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one
SMILESCC[C@@H]1CCCCCN1C(=O)C[C@H](N)C1CC1
InChIInChI=1S/C14H26N2O/c1-2-12-6-4-3-5-9-16(12)14(17)10-13(15)11-7-8-11/h11-13H,2-10,15H2,1H3/t12-,13+/m1/s1
InChIKeySHSYXPMFGFNDMU-OLZOCXBDSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds4

About (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one

(3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one (PubChem CID 99611844) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name(3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one
PubChem CID99611844
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one
SMILESCC[C@@H]1CCCCCN1C(=O)C[C@H](N)C1CC1
InChIInChI=1S/C14H26N2O/c1-2-12-6-4-3-5-9-16(12)14(17)10-13(15)11-7-8-11/h11-13H,2-10,15H2,1H3/t12-,13+/m1/s1
InChIKeySHSYXPMFGFNDMU-OLZOCXBDSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
2-(1-aminocyclohexyl)-1-(2-ethylazepan-1-yl)ethanone
CID 104689647
1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one?
The IUPAC name of (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one (CID 99611844) is (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one.
What is the SMILES notation for (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one?
The canonical SMILES for (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one is CC[C@@H]1CCCCCN1C(=O)C[C@H](N)C1CC1.
What is the InChIKey of (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one?
The InChIKey is SHSYXPMFGFNDMU-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-12-6-4-3-5-9-16(12)14(17)10-13(15)11-7-8-11/h11-13H,2-10,15H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one?
(3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one is sourced from PubChem (CID 99611844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).