2-amino-N-(3-methylbut-2-enyl)hexanamide

C11H22N2O — CID 106187257

IUPAC2-amino-N-(3-methylbut-2-enyl)hexanamide
SMILESCCCCC(N)C(=O)NCC=C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-10(12)11(14)13-8-7-9(2)3/h7,10H,4-6,8,12H2,1-3H3,(H,13,14)
InChIKeyIRZSDVLVPRZSDM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.59
Rot. Bonds6

About 2-amino-N-(3-methylbut-2-enyl)hexanamide

2-amino-N-(3-methylbut-2-enyl)hexanamide (PubChem CID 106187257) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-N-(3-methylbut-2-enyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(3-methylbut-2-enyl)hexanamide
PubChem CID106187257
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-N-(3-methylbut-2-enyl)hexanamide
SMILESCCCCC(N)C(=O)NCC=C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-10(12)11(14)13-8-7-9(2)3/h7,10H,4-6,8,12H2,1-3H3,(H,13,14)
InChIKeyIRZSDVLVPRZSDM-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methylbut-2-enyl)pentanamide
CID 106187050
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
2-amino-N-(2-bromoprop-2-enyl)hexanamide
CID 115753303
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
CID 57250852
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylbut-2-enyl)hexanamide?
The IUPAC name of 2-amino-N-(3-methylbut-2-enyl)hexanamide (CID 106187257) is 2-amino-N-(3-methylbut-2-enyl)hexanamide.
What is the SMILES notation for 2-amino-N-(3-methylbut-2-enyl)hexanamide?
The canonical SMILES for 2-amino-N-(3-methylbut-2-enyl)hexanamide is CCCCC(N)C(=O)NCC=C(C)C.
What is the InChIKey of 2-amino-N-(3-methylbut-2-enyl)hexanamide?
The InChIKey is IRZSDVLVPRZSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-10(12)11(14)13-8-7-9(2)3/h7,10H,4-6,8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-(3-methylbut-2-enyl)hexanamide?
2-amino-N-(3-methylbut-2-enyl)hexanamide has a molecular weight of 198.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylbut-2-enyl)hexanamide is sourced from PubChem (CID 106187257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).