3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine

C10H13N — CID 123274452

IUPAC3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine
SMILESC#CC/N=C/C=C(C)C(=C)C
InChIInChI=1S/C10H13N/c1-5-7-11-8-6-10(4)9(2)3/h1,6,8H,2,7H2,3-4H3/b10-6?,11-8+
InChIKeyQNGCNGHPNPIABD-VJJUCBOQSA-N
MW147.22 g/mol
LogP2.21
Rot. Bonds3

About 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine

3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine (PubChem CID 123274452) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine
PubChem CID123274452
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine
SMILESC#CC/N=C/C=C(C)C(=C)C
InChIInChI=1S/C10H13N/c1-5-7-11-8-6-10(4)9(2)3/h1,6,8H,2,7H2,3-4H3/b10-6?,11-8+
InChIKeyQNGCNGHPNPIABD-VJJUCBOQSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(2E,4E)-N-ethyl-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 143694082
(1E,3E,5E)-1-bromo-2,3,6,7-tetramethylocta-1,3,5,7-tetraene
CID 58730070
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
(1Z)-2,3-dimethylbuta-1,3-dien-1-ol
CID 143116210
(2E)-N'-[[ethenyl(ethyl)amino]methyl]-3,4-dimethyl-N-prop-2-ynylpenta-2,4-dienimidamide
CID 174093674
(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
2-prop-2-ynoxyprop-1-ene
CID 15853200
2-methylhept-1-en-6-yn-3-one
CID 24975370
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
1-(4-bromophenyl)-N-prop-2-ynylmethanimine
CID 18915497
3-methylidenehex-5-yn-2-one
CID 10486810

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine?
The IUPAC name of 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine (CID 123274452) is 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine.
What is the SMILES notation for 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine?
The canonical SMILES for 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine is C#CC/N=C/C=C(C)C(=C)C.
What is the InChIKey of 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine?
The InChIKey is QNGCNGHPNPIABD-VJJUCBOQSA-N. The full InChI is InChI=1S/C10H13N/c1-5-7-11-8-6-10(4)9(2)3/h1,6,8H,2,7H2,3-4H3/b10-6?,11-8+.
What are the key properties of 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine?
3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-prop-2-ynylpenta-2,4-dien-1-imine is sourced from PubChem (CID 123274452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).