(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one

C11H23N3O — CID 93315595

IUPAC(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O/c1-2-3-5-10(12)11(15)14-8-4-6-13-7-9-14/h10,13H,2-9,12H2,1H3/t10-/m0/s1
InChIKeyZOEWDILUFVTKGX-JTQLQIEISA-N
MW213.32 g/mol
LogP0.33
Rot. Bonds4

About (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one

(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one (PubChem CID 93315595) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
PubChem CID93315595
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O/c1-2-3-5-10(12)11(15)14-8-4-6-13-7-9-14/h10,13H,2-9,12H2,1H3/t10-/m0/s1
InChIKeyZOEWDILUFVTKGX-JTQLQIEISA-N
XLogP0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 93255588
zinc;(2S)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-1-one;hydrate
CID 139261928
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
2-(piperazine-1-carbonyl)hexanamide
CID 154250198
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid
CID 175272777
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
4-(2-aminohexanoyl)piperazin-2-one
CID 60853843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one (CID 93315595) is (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCCNCC1.
What is the InChIKey of (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
The InChIKey is ZOEWDILUFVTKGX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-3-5-10(12)11(15)14-8-4-6-13-7-9-14/h10,13H,2-9,12H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one?
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one is sourced from PubChem (CID 93315595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).