(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide

C11H20N4O — CID 107146607

IUPAC(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-3-4-5-9(12)11(16)15-8(2)10-13-6-7-14-10/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyFSERSXVAALZXAI-GKAPJAKFSA-N
MW224.31 g/mol
LogP1.10
Rot. Bonds6

About (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide

(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide (PubChem CID 107146607) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
PubChem CID107146607
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NC(C)c1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-3-4-5-9(12)11(16)15-8(2)10-13-6-7-14-10/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyFSERSXVAALZXAI-GKAPJAKFSA-N
XLogP1.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

butyl N-[(1S)-1-(1H-imidazol-2-yl)ethyl]carbamate
CID 139947377
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
2-hexan-2-yl-1H-imidazole
CID 54215570
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 146109150
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]hexanamide
CID 81399941
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide (CID 107146607) is (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide is CCCC[C@H](N)C(=O)NC(C)c1ncc[nH]1.
What is the InChIKey of (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide?
The InChIKey is FSERSXVAALZXAI-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-5-9(12)11(16)15-8(2)10-13-6-7-14-10/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide?
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide has a molecular weight of 224.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide is sourced from PubChem (CID 107146607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).