N,3,3,5,5-pentamethylhept-6-en-2-imine

C12H23N — CID 123270736

IUPACN,3,3,5,5-pentamethylhept-6-en-2-imine
SMILESC=CC(C)(C)CC(C)(C)/C(C)=N/C
InChIInChI=1S/C12H23N/c1-8-11(3,4)9-12(5,6)10(2)13-7/h8H,1,9H2,2-7H3/b13-10+
InChIKeyPHVLFAOFFOTZHF-JLHYYAGUSA-N
MW181.32 g/mol
LogP3.71
Rot. Bonds4

About N,3,3,5,5-pentamethylhept-6-en-2-imine

N,3,3,5,5-pentamethylhept-6-en-2-imine (PubChem CID 123270736) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,3,3,5,5-pentamethylhept-6-en-2-imine.

Molecular Properties

Compound NameN,3,3,5,5-pentamethylhept-6-en-2-imine
PubChem CID123270736
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,3,3,5,5-pentamethylhept-6-en-2-imine
SMILESC=CC(C)(C)CC(C)(C)/C(C)=N/C
InChIInChI=1S/C12H23N/c1-8-11(3,4)9-12(5,6)10(2)13-7/h8H,1,9H2,2-7H3/b13-10+
InChIKeyPHVLFAOFFOTZHF-JLHYYAGUSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-4-ethylpyridine
CID 129809879
2,3-Dimethyl-3-(2-methylpropyl)pyrrole
CID 90014511
2,3-Dimethyl-3-propylpyrrole
CID 90014825
2-Ethyl-3-methyl-3-propylpyrrole
CID 90015987
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
5,6-dimethyl-5-prop-2-enyl-3,4-dihydro-2H-pyridine
CID 123379998
N,5,5-trimethyl-4-methylidenehexan-3-imine
CID 123488530
N,3,5,5-tetramethylhept-6-en-2-imine
CID 123612758
N,4-dimethylhept-1-en-3-imine
CID 123647931
3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine
CID 123648430
N-(3,5,5-trimethylhexan-3-yl)but-3-en-2-imine
CID 123789076
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063

Frequently Asked Questions

What is the IUPAC name of N,3,3,5,5-pentamethylhept-6-en-2-imine?
The IUPAC name of N,3,3,5,5-pentamethylhept-6-en-2-imine (CID 123270736) is N,3,3,5,5-pentamethylhept-6-en-2-imine.
What is the SMILES notation for N,3,3,5,5-pentamethylhept-6-en-2-imine?
The canonical SMILES for N,3,3,5,5-pentamethylhept-6-en-2-imine is C=CC(C)(C)CC(C)(C)/C(C)=N/C.
What is the InChIKey of N,3,3,5,5-pentamethylhept-6-en-2-imine?
The InChIKey is PHVLFAOFFOTZHF-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23N/c1-8-11(3,4)9-12(5,6)10(2)13-7/h8H,1,9H2,2-7H3/b13-10+.
What are the key properties of N,3,3,5,5-pentamethylhept-6-en-2-imine?
N,3,3,5,5-pentamethylhept-6-en-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,5,5-pentamethylhept-6-en-2-imine is sourced from PubChem (CID 123270736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).