N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine

C13H29N3O — CID 144974845

IUPACN-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine
SMILESC=C(N)C(C(C)C)N(C)C(C)=O.CCCNC
InChIInChI=1S/C9H18N2O.C4H11N/c1-6(2)9(7(3)10)11(5)8(4)12;1-3-4-5-2/h6,9H,3,10H2,1-2,4-5H3;5H,3-4H2,1-2H3
InChIKeyFFJREVAZPBRJAL-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.58
Rot. Bonds5

About N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine

N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine (PubChem CID 144974845) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine
PubChem CID144974845
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine
SMILESC=C(N)C(C(C)C)N(C)C(C)=O.CCCNC
InChIInChI=1S/C9H18N2O.C4H11N/c1-6(2)9(7(3)10)11(5)8(4)12;1-3-4-5-2/h6,9H,3,10H2,1-2,4-5H3;5H,3-4H2,1-2H3
InChIKeyFFJREVAZPBRJAL-UHFFFAOYSA-N
XLogP1.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N,4-trimethylpent-1-ene-2,3-diamine
CID 156737008
N-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxopentan-3-yl]acetamide;molecular hydrogen;propane
CID 144736616
butan-2-yl carbamate;N-methylpropan-1-amine
CID 175421814
N-methylpropan-1-amine;6-oxoheptanamide
CID 142298315
1-N,3-dimethylpent-4-ene-1,4-diamine
CID 142892579
N,N-dimethylmethanamine;methyl hydrogen sulfate;N-methylpropan-1-amine
CID 174472980
(2S)-2-[acetyl(methyl)amino]propanamide
CID 55282132
2,3-dimethylpentane;N-methylpropan-1-amine
CID 162382755
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
N-methylpropan-1-amine;sulfuric acid
CID 159819552
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
ethyl (2S)-2-[carbonochloridoyl(methyl)amino]-3-methylbutanoate
CID 134323287

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine?
The IUPAC name of N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine (CID 144974845) is N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine.
What is the SMILES notation for N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine?
The canonical SMILES for N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine is C=C(N)C(C(C)C)N(C)C(C)=O.CCCNC.
What is the InChIKey of N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine?
The InChIKey is FFJREVAZPBRJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C4H11N/c1-6(2)9(7(3)10)11(5)8(4)12;1-3-4-5-2/h6,9H,3,10H2,1-2,4-5H3;5H,3-4H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine?
N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpent-1-en-3-yl)-N-methylacetamide;N-methylpropan-1-amine is sourced from PubChem (CID 144974845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).