N,3-dimethylbuta-1,3-dien-1-amine

C6H11N — CID 59971352

IUPACN,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)C=CNC
InChIInChI=1S/C6H11N/c1-6(2)4-5-7-3/h4-5,7H,1H2,2-3H3
InChIKeyQDISFOBBANNARG-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.30
Rot. Bonds2

About N,3-dimethylbuta-1,3-dien-1-amine

N,3-dimethylbuta-1,3-dien-1-amine (PubChem CID 59971352) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N,3-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound NameN,3-dimethylbuta-1,3-dien-1-amine
PubChem CID59971352
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN,3-dimethylbuta-1,3-dien-1-amine
SMILESC=C(C)C=CNC
InChIInChI=1S/C6H11N/c1-6(2)4-5-7-3/h4-5,7H,1H2,2-3H3
InChIKeyQDISFOBBANNARG-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl dihydropyridine
CID 407036
4-methylidene-1H-pyridine
CID 6100702
4-Methyl-1,4-dihydropyridine
CID 11240431
Methyl propylene amine
CID 12676328
Methylenpyrrolin
CID 20094660
Di(1-propenyl)amine
CID 54562818
Isoprene amine
CID 55285509
Dimethyl 1,4-dihydropyridine
CID 55287127
1-Amino-3-methylbuta-1,3-diene
CID 57682486
Butadienyl-vinyl-amine
CID 86260153
N-methylhexeneamine
CID 86641378
(1E)-N,N,3-trimethylbuta-1,3-dien-1-amine
CID 118368990

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of N,3-dimethylbuta-1,3-dien-1-amine (CID 59971352) is N,3-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for N,3-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for N,3-dimethylbuta-1,3-dien-1-amine is C=C(C)C=CNC.
What is the InChIKey of N,3-dimethylbuta-1,3-dien-1-amine?
The InChIKey is QDISFOBBANNARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)4-5-7-3/h4-5,7H,1H2,2-3H3.
What are the key properties of N,3-dimethylbuta-1,3-dien-1-amine?
N,3-dimethylbuta-1,3-dien-1-amine has a molecular weight of 97.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 59971352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).