N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide

C11H22N2O — CID 138739134

IUPACN-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCC(C)(C)N
InChIInChI=1S/C11H22N2O/c1-9(2)10(14)13(5)8-6-7-11(3,4)12/h1,6-8,12H2,2-5H3
InChIKeyUIGKDBZWOLPFBN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.54
Rot. Bonds5

About N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide

N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide (PubChem CID 138739134) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
PubChem CID138739134
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCC(C)(C)N
InChIInChI=1S/C11H22N2O/c1-9(2)10(14)13(5)8-6-7-11(3,4)12/h1,6-8,12H2,2-5H3
InChIKeyUIGKDBZWOLPFBN-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N,2-dimethyl-N-[3-[1-[3-[methyl(2-methylprop-2-enoyl)amino]propoxy]ethoxy]propyl]prop-2-enamide
CID 21285723
N-(3-butyl-3-trimethylsilylheptyl)-N,2-dimethylprop-2-enamide
CID 59819360
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
4-amino-N,4-dimethyl-N-pent-4-enylpentanamide
CID 115740355
N-[3-[diethoxy(methyl)silyl]propyl]-N,2-dimethylprop-2-enamide
CID 139724660
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
4-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199292
N-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-N,2-dimethylprop-2-enamide
CID 102248514
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide
CID 146260613
N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
CID 167496329

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide (CID 138739134) is N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)CCCC(C)(C)N.
What is the InChIKey of N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide?
The InChIKey is UIGKDBZWOLPFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)10(14)13(5)8-6-7-11(3,4)12/h1,6-8,12H2,2-5H3.
What are the key properties of N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide?
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 138739134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).