1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine

C10H15N — CID 123262271

IUPAC1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)C1=CC=CCC1C
InChIInChI=1S/C10H15N/c1-3-10(11)9-7-5-4-6-8(9)2/h4-5,7-8,11H,3,6H2,1-2H3/b11-10+
InChIKeyZYENDVDBLIUSOB-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds2

About 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine

1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine (PubChem CID 123262271) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine
PubChem CID123262271
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)C1=CC=CCC1C
InChIInChI=1S/C10H15N/c1-3-10(11)9-7-5-4-6-8(9)2/h4-5,7-8,11H,3,6H2,1-2H3/b11-10+
InChIKeyZYENDVDBLIUSOB-ZHACJKMWSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
Diazopseudocumol
CID 129639748
1-Cyclohexyl-imino-2-butene
CID 129765474
(6Z,8Z)-10-ethylidene-2,4-difluoro-6-methyl-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142347280
(6Z,8Z)-10-ethylidene-2,4-difluoro-1,10a-dihydrobenzo[8]annulen-5-imine
CID 142417735
(6Z,8Z)-10-ethylidene-2-fluoro-4,6-dimethyl-1,10a-dihydrobenzo[8]annulen-5-imine
CID 144323904
(6Z,8Z)-2,4-difluoro-6-methyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
CID 144782000
(6Z,8Z)-4-fluoro-2,6-dimethyl-10-propylidene-1,10a-dihydrobenzo[8]annulen-5-imine
CID 144913873

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine?
The IUPAC name of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine (CID 123262271) is 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine.
What is the SMILES notation for 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine?
The canonical SMILES for 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine is [H]/N=C(\CC)C1=CC=CCC1C.
What is the InChIKey of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine?
The InChIKey is ZYENDVDBLIUSOB-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-3-10(11)9-7-5-4-6-8(9)2/h4-5,7-8,11H,3,6H2,1-2H3/b11-10+.
What are the key properties of 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine?
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-imine is sourced from PubChem (CID 123262271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).