N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine

C10H15N — CID 90908708

IUPACN-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine
SMILESC=CC=C(N=C=CC)C(C)C
InChIInChI=1S/C10H15N/c1-5-7-10(9(3)4)11-8-6-2/h5-7,9H,1H2,2-4H3
InChIKeyHVFKHAIFBQJJDN-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.96
Rot. Bonds3

About N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine

N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine (PubChem CID 90908708) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine.

Molecular Properties

Compound NameN-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine
PubChem CID90908708
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine
SMILESC=CC=C(N=C=CC)C(C)C
InChIInChI=1S/C10H15N/c1-5-7-10(9(3)4)11-8-6-2/h5-7,9H,1H2,2-4H3
InChIKeyHVFKHAIFBQJJDN-UHFFFAOYSA-N
XLogP2.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.96
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'}

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Related Compounds

N-[(3Z)-5-fluoro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 171630746
N-[(3E,5Z)-4-fluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 174171277
2,4,6-Trimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71347975
6-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708319
propane;6-propan-2-yl-2H-pyridin-2-ide;vanadium(2+)
CID 58748027
6-Propan-2-yl-2,4-dihydropyridine-2,4-diide;tungsten
CID 59184807
6-tert-butyl-2H-pyridin-2-ide;yttrium
CID 59698763
6-propan-2-yl-2H-pyridin-2-ide;tungsten
CID 59975386
zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride
CID 87403105
(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
CID 88576597
N-[(3Z)-hexa-1,3-dien-2-yl]propan-2-imine
CID 88874599
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]hepta-3,5-dien-2-imine
CID 89121716

Frequently Asked Questions

What is the IUPAC name of N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine?
The IUPAC name of N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine (CID 90908708) is N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine.
What is the SMILES notation for N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine?
The canonical SMILES for N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine is C=CC=C(N=C=CC)C(C)C.
What is the InChIKey of N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine?
The InChIKey is HVFKHAIFBQJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-10(9(3)4)11-8-6-2/h5-7,9H,1H2,2-4H3.
What are the key properties of N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine?
N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine is sourced from PubChem (CID 90908708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).