N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine

C12H19N — CID 167052556

IUPACN,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine
SMILESC/N=C(\C(C)C)C1C=CC=CC1C
InChIInChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-11H,1-4H3/b13-12+
InChIKeyMDSYZNMKDVWCHB-OUKQBFOZSA-N
MW177.29 g/mol
LogP3.09
Rot. Bonds2

About N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine

N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine (PubChem CID 167052556) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine.

Molecular Properties

Compound NameN,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine
PubChem CID167052556
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine
SMILESC/N=C(\C(C)C)C1C=CC=CC1C
InChIInChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-11H,1-4H3/b13-12+
InChIKeyMDSYZNMKDVWCHB-OUKQBFOZSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine?
The IUPAC name of N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine (CID 167052556) is N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine.
What is the SMILES notation for N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine?
The canonical SMILES for N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine is C/N=C(\C(C)C)C1C=CC=CC1C.
What is the InChIKey of N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine?
The InChIKey is MDSYZNMKDVWCHB-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)12(13-4)11-8-6-5-7-10(11)3/h5-11H,1-4H3/b13-12+.
What are the key properties of N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine?
N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-imine is sourced from PubChem (CID 167052556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).