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

C10H20N2O — CID 106187050

IUPAC2-amino-N-(3-methylbut-2-enyl)pentanamide
SMILESCCCC(N)C(=O)NCC=C(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)10(13)12-7-6-8(2)3/h6,9H,4-5,7,11H2,1-3H3,(H,12,13)
InChIKeyQBEZMCMMVDMWES-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.20
Rot. Bonds5

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

2-amino-N-(3-methylbut-2-enyl)pentanamide (PubChem CID 106187050) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-amino-N-(3-methylbut-2-enyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-methylbut-2-enyl)pentanamide
PubChem CID106187050
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-amino-N-(3-methylbut-2-enyl)pentanamide
SMILESCCCC(N)C(=O)NCC=C(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-9(11)10(13)12-7-6-8(2)3/h6,9H,4-5,7,11H2,1-3H3,(H,12,13)
InChIKeyQBEZMCMMVDMWES-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.20
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)hexanamide
CID 106187257
2-amino-N-propylpentanamide
CID 43649977
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
2-amino-N-benzylpentanamide
CID 11020044
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylbut-2-enyl)pentanamide?
The IUPAC name of 2-amino-N-(3-methylbut-2-enyl)pentanamide (CID 106187050) is 2-amino-N-(3-methylbut-2-enyl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-methylbut-2-enyl)pentanamide?
The canonical SMILES for 2-amino-N-(3-methylbut-2-enyl)pentanamide is CCCC(N)C(=O)NCC=C(C)C.
What is the InChIKey of 2-amino-N-(3-methylbut-2-enyl)pentanamide?
The InChIKey is QBEZMCMMVDMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-9(11)10(13)12-7-6-8(2)3/h6,9H,4-5,7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(3-methylbut-2-enyl)pentanamide?
2-amino-N-(3-methylbut-2-enyl)pentanamide has a molecular weight of 184.28 g/mol, XLogP of 1.20, 5 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)pentanamide is sourced from PubChem (CID 106187050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).