N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine

C14H21N — CID 143521583

IUPACN-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine
SMILESC=C(CC1=CCC(C)C=C1)/N=C(\C)CC
InChIInChI=1S/C14H21N/c1-5-12(3)15-13(4)10-14-8-6-11(2)7-9-14/h6,8-9,11H,4-5,7,10H2,1-3H3/b15-12+
InChIKeySAXZBPVJWOWNBC-NTCAYCPXSA-N
MW203.33 g/mol
LogP4.28
Rot. Bonds4

About N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine

N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine (PubChem CID 143521583) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine
PubChem CID143521583
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine
SMILESC=C(CC1=CCC(C)C=C1)/N=C(\C)CC
InChIInChI=1S/C14H21N/c1-5-12(3)15-13(4)10-14-8-6-11(2)7-9-14/h6,8-9,11H,4-5,7,10H2,1-3H3/b15-12+
InChIKeySAXZBPVJWOWNBC-NTCAYCPXSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene
CID 142295223
2-(2-ethenyl-5-methylhex-4-enyl)-5-methylcyclohexa-1,3-diene
CID 142950691
(4-methylcyclohexa-1,5-dien-1-yl)methylurea
CID 143565143
5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
CID 123584531
N-[(Z)-5-(4-methylcyclohexa-1,5-dien-1-yl)-4-oxopent-2-enyl]octanamide
CID 162388144
N-tert-butyl-1-dicyclohexylphosphanyl-N'-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethyl]methanimidamide
CID 142317464
(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
CID 143192924
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
4-ethylcyclohexa-2,4-diene-1-thiol
CID 130239972
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
2-[4-(methylideneamino)cyclohexa-1,5-dien-1-yl]acetic acid
CID 89324390
N-[(1E)-2,4-dimethyl-3-[1-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]azetidin-1-yl]ethenyl]-1-(methylideneamino)penta-1,3-dienyl]-1-methylcyclopropan-1-amine
CID 138665809

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine?
The IUPAC name of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine (CID 143521583) is N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine.
What is the SMILES notation for N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine?
The canonical SMILES for N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine is C=C(CC1=CCC(C)C=C1)/N=C(\C)CC.
What is the InChIKey of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine?
The InChIKey is SAXZBPVJWOWNBC-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21N/c1-5-12(3)15-13(4)10-14-8-6-11(2)7-9-14/h6,8-9,11H,4-5,7,10H2,1-3H3/b15-12+.
What are the key properties of N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine?
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine has a molecular weight of 203.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylcyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]butan-2-imine is sourced from PubChem (CID 143521583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).