2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide

C11H22N2O — CID 81489014

IUPAC2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(CC)C(=O)C(N)CC(C)C
InChIInChI=1S/C11H22N2O/c1-5-7-13(6-2)11(14)10(12)8-9(3)4/h5,9-10H,1,6-8,12H2,2-4H3
InChIKeyKOHBRIOEYZUBCU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds6

About 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide

2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide (PubChem CID 81489014) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
PubChem CID81489014
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
SMILESC=CCN(CC)C(=O)C(N)CC(C)C
InChIInChI=1S/C11H22N2O/c1-5-7-13(6-2)11(14)10(12)8-9(3)4/h5,9-10H,1,6-8,12H2,2-4H3
InChIKeyKOHBRIOEYZUBCU-UHFFFAOYSA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N,N-bis(prop-2-enyl)pentanamide
CID 24700331
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2R)-2-amino-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpentanamide
CID 103338814
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
(2R)-2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 104903332
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
CID 107033486
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102993062
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide (CID 81489014) is 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide is C=CCN(CC)C(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide?
The InChIKey is KOHBRIOEYZUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-13(6-2)11(14)10(12)8-9(3)4/h5,9-10H,1,6-8,12H2,2-4H3.
What are the key properties of 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide?
2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide has a molecular weight of 198.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 81489014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).