N,2-dimethylprop-2-en-1-amine

C5H11N — CID 3478594

IUPACN,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CNC
InChIInChI=1S/C5H11N/c1-5(2)4-6-3/h6H,1,4H2,2-3H3
InChIKeyNOBVTKCADZWKHR-UHFFFAOYSA-N
MW85.15 g/mol
LogP0.78
Rot. Bonds2

About N,2-dimethylprop-2-en-1-amine

N,2-dimethylprop-2-en-1-amine (PubChem CID 3478594) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethylprop-2-en-1-amine
PubChem CID3478594
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC NameN,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CNC
InChIInChI=1S/C5H11N/c1-5(2)4-6-3/h6H,1,4H2,2-3H3
InChIKeyNOBVTKCADZWKHR-UHFFFAOYSA-N
XLogP0.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-amine, N-ethyl-2-methyl-
CID 87587
2-Methylallylamine
CID 76141
Bis(2-methylprop-2-en-1-yl)amine
CID 233709
Methyl(2-methylprop-2-en-1-yl)amine hydrochloride
CID 134690937
N,N'-dimethyl-2-methylene-trimethylenediamine
CID 12427674
N,3-Dimethylbut-2-en-1-amine
CID 12688299
2-Methyl-N-(propan-2-yl)prop-2-en-1-amine
CID 12844965
N-(3-fluoropropyl)-2-methylprop-2-en-1-amine
CID 89887494
1-fluoro-N,2-dimethylprop-2-en-1-amine
CID 139550995
N-ethyl-1-fluoro-2-methylprop-2-en-1-amine
CID 155275000
(E)-4-fluoro-N,2-dimethylbut-2-en-1-amine
CID 166971141
Bis(2-methylallyl)amine hydrochloride
CID 21496889

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylprop-2-en-1-amine?
The IUPAC name of N,2-dimethylprop-2-en-1-amine (CID 3478594) is N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for N,2-dimethylprop-2-en-1-amine is C=C(C)CNC.
What is the InChIKey of N,2-dimethylprop-2-en-1-amine?
The InChIKey is NOBVTKCADZWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-5(2)4-6-3/h6H,1,4H2,2-3H3.
What are the key properties of N,2-dimethylprop-2-en-1-amine?
N,2-dimethylprop-2-en-1-amine has a molecular weight of 85.15 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 3478594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).