N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide

C12H24N2O — CID 77011072

IUPACN-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-10(4)12(15)14-11(8-13)7-9(2)3/h6,9,11H,5,7-8,13H2,1-4H3,(H,14,15)
InChIKeyDAMGLVCRKPLJFQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.83
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide

N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide (PubChem CID 77011072) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide
PubChem CID77011072
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-10(4)12(15)14-11(8-13)7-9(2)3/h6,9,11H,5,7-8,13H2,1-4H3,(H,14,15)
InChIKeyDAMGLVCRKPLJFQ-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid
CID 24703550
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
CID 60966147
4-(2-methylpent-2-enoylamino)pentanoic acid
CID 77016913
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
CID 119588291
N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475600
(2R)-2-(2-methylpent-2-enoylamino)pentanoic acid
CID 107562969
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
CID 115737405

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide (CID 77011072) is N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide?
The InChIKey is DAMGLVCRKPLJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-10(4)12(15)14-11(8-13)7-9(2)3/h6,9,11H,5,7-8,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide?
N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 77011072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).