N-tert-butylcyclohexa-2,4-dien-1-imine

C10H15N — CID 14398597

IUPACN-tert-butylcyclohexa-2,4-dien-1-imine
SMILESCC(C)(C)/N=C1\C=CC=CC1
InChIInChI=1S/C10H15N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-7H,8H2,1-3H3/b11-9+
InChIKeyBMJNKCLECGDKDY-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds

About N-tert-butylcyclohexa-2,4-dien-1-imine

N-tert-butylcyclohexa-2,4-dien-1-imine (PubChem CID 14398597) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-tert-butylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-tert-butylcyclohexa-2,4-dien-1-imine
PubChem CID14398597
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-tert-butylcyclohexa-2,4-dien-1-imine
SMILESCC(C)(C)/N=C1\C=CC=CC1
InChIInChI=1S/C10H15N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-7H,8H2,1-3H3/b11-9+
InChIKeyBMJNKCLECGDKDY-PKNBQFBNSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
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

2,2-Dimethyl-2H-benzimidazole
CID 11435022
2-Methylindol-2-ylium
CID 57054412
Trimethyl 2h indol
CID 101318478
N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
2,2,4-Trimethyl-2,6-dihydroquinoline
CID 20760318
Cyclopropane-spiro-benzazepine
CID 129860211
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442

Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N-tert-butylcyclohexa-2,4-dien-1-imine (CID 14398597) is N-tert-butylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-tert-butylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-tert-butylcyclohexa-2,4-dien-1-imine is CC(C)(C)/N=C1\C=CC=CC1.
What is the InChIKey of N-tert-butylcyclohexa-2,4-dien-1-imine?
The InChIKey is BMJNKCLECGDKDY-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-7H,8H2,1-3H3/b11-9+.
What are the key properties of N-tert-butylcyclohexa-2,4-dien-1-imine?
N-tert-butylcyclohexa-2,4-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 14398597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).