3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine

C11H19N — CID 170028248

IUPAC3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine
SMILESC=C(C)C(=CNCCC)C(=C)C
InChIInChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h8,12H,2,4,6-7H2,1,3,5H3
InChIKeyFLJNISVLXAORLL-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.02
Rot. Bonds5

About 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine

3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine (PubChem CID 170028248) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine
PubChem CID170028248
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine
SMILESC=C(C)C(=CNCCC)C(=C)C
InChIInChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h8,12H,2,4,6-7H2,1,3,5H3
InChIKeyFLJNISVLXAORLL-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353
2-nitro-N-propylprop-1-en-1-amine
CID 71371907
(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
CID 155484558
(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine
CID 170238799
N-ethenylpropan-1-amine;methane
CID 158278470
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
N-(2-methylprop-1-enyl)dodecan-1-amine
CID 88695938
N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
CID 173417762
(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
CID 155225855
(E)-2,3-dimethyl-3-[(2-methyl-3-methyliminobutan-2-yl)diazenyl]-N-propylbut-1-en-1-amine
CID 153034225
(E)-2-nitro-3-(propylamino)prop-2-enal
CID 11105624

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine?
The IUPAC name of 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine (CID 170028248) is 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine.
What is the SMILES notation for 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine?
The canonical SMILES for 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine is C=C(C)C(=CNCCC)C(=C)C.
What is the InChIKey of 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine?
The InChIKey is FLJNISVLXAORLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-12-8-11(9(2)3)10(4)5/h8,12H,2,4,6-7H2,1,3,5H3.
What are the key properties of 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine?
3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine is sourced from PubChem (CID 170028248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).