N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride

C11H23ClN2O — CID 173423557

IUPACN-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride
SMILESC=CC(=O)N(C)C(CC)CC(C)(C)N.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-6-9(8-11(3,4)12)13(5)10(14)7-2;/h7,9H,2,6,8,12H2,1,3-5H3;1H
InChIKeyYLGTVVDEABQNTE-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.96
Rot. Bonds5

About N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride

N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride (PubChem CID 173423557) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride
PubChem CID173423557
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC NameN-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride
SMILESC=CC(=O)N(C)C(CC)CC(C)(C)N.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-6-9(8-11(3,4)12)13(5)10(14)7-2;/h7,9H,2,6,8,12H2,1,3-5H3;1H
InChIKeyYLGTVVDEABQNTE-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.96
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-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
CID 158816365
(2-amino-2-methylheptan-4-yl) prop-2-enoate
CID 175405204
2-[methyl(prop-2-enoyl)amino]propane-1-sulfonic acid
CID 23496741
1-(5-amino-5-methylhexan-3-yl)-3-[(3-fluoro-2-hydroxyphenyl)methyl]-1-methylurea
CID 143764066
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
CID 171093206
N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide
CID 123903893
N-(1,1-dihydroxyethyl)-N-methylprop-2-enamide
CID 87731814
2-[methyl(prop-2-enoyl)amino]propanamide;molecular hydrogen
CID 155589640
(2S)-3-hydroxy-2-[methyl(prop-2-enoyl)amino]propanoic acid
CID 176549351
2-methylbut-3-en-2-yl (2S)-2-aminobutanoate
CID 102467001
(5-amino-5-methylhexan-3-yl) prop-2-enoate;ethyl hydrogen sulfate
CID 175031704
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride?
The IUPAC name of N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride (CID 173423557) is N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride.
What is the SMILES notation for N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride?
The canonical SMILES for N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride is C=CC(=O)N(C)C(CC)CC(C)(C)N.Cl.
What is the InChIKey of N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride?
The InChIKey is YLGTVVDEABQNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-6-9(8-11(3,4)12)13(5)10(14)7-2;/h7,9H,2,6,8,12H2,1,3-5H3;1H.
What are the key properties of N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride?
N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride is sourced from PubChem (CID 173423557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).