(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide

C11H21N5O — CID 107146486

IUPAC(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCCn1ccnn1
InChIInChI=1S/C11H21N5O/c1-2-3-5-10(12)11(17)13-6-4-8-16-9-7-14-15-16/h7,9-10H,2-6,8,12H2,1H3,(H,13,17)/t10-/m0/s1
InChIKeyYNHDHKCKVWJVDH-JTQLQIEISA-N
MW239.32 g/mol
LogP0.30
Rot. Bonds8

About (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide

(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide (PubChem CID 107146486) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
PubChem CID107146486
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCCn1ccnn1
InChIInChI=1S/C11H21N5O/c1-2-3-5-10(12)11(17)13-6-4-8-16-9-7-14-15-16/h7,9-10H,2-6,8,12H2,1H3,(H,13,17)/t10-/m0/s1
InChIKeyYNHDHKCKVWJVDH-JTQLQIEISA-N
XLogP0.30
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-[3-(triazol-1-yl)propyl]butanamide
CID 104909015
(2S)-2-[3-(triazol-1-yl)propylcarbamoylamino]hexanoic acid
CID 107146507
2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 114350714
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
CID 104903965
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
CID 106113671
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 107769845
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide (CID 107146486) is (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide is CCCC[C@H](N)C(=O)NCCCn1ccnn1.
What is the InChIKey of (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide?
The InChIKey is YNHDHKCKVWJVDH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-3-5-10(12)11(17)13-6-4-8-16-9-7-14-15-16/h7,9-10H,2-6,8,12H2,1H3,(H,13,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide?
(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide has a molecular weight of 239.32 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide is sourced from PubChem (CID 107146486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).