N-butan-2-yl-2-methylhex-2-en-1-imine

C11H21N — CID 85373398

IUPACN-butan-2-yl-2-methylhex-2-en-1-imine
SMILESCCCC=C(C)/C=N/C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-10(3)9-12-11(4)6-2/h8-9,11H,5-7H2,1-4H3/b10-8?,12-9+
InChIKeyGIDKHGRVUCEOJL-AVZJTKQCSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds5

About N-butan-2-yl-2-methylhex-2-en-1-imine

N-butan-2-yl-2-methylhex-2-en-1-imine (PubChem CID 85373398) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-butan-2-yl-2-methylhex-2-en-1-imine.

Molecular Properties

Compound NameN-butan-2-yl-2-methylhex-2-en-1-imine
PubChem CID85373398
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-butan-2-yl-2-methylhex-2-en-1-imine
SMILESCCCC=C(C)/C=N/C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-10(3)9-12-11(4)6-2/h8-9,11H,5-7H2,1-4H3/b10-8?,12-9+
InChIKeyGIDKHGRVUCEOJL-AVZJTKQCSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 141929354
5-Ethyl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 143207610
2-(1-Fluoroethyl)-5-methyl-2,3-dihydropyridine
CID 143887758
ethane;(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine
CID 171493175
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-methylpent-2-en-1-ylidene)cyclopropan-amine
CID 129748290
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(2E,5E)-N-tert-butyl-3,7-dimethylocta-2,5-dien-1-imine
CID 135053282
(2E)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine
CID 171493176
5,10-Undecadien-3-amine, 2-methyl-N-(2-methyl-2-propenylidene)-
CID 5371390

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methylhex-2-en-1-imine?
The IUPAC name of N-butan-2-yl-2-methylhex-2-en-1-imine (CID 85373398) is N-butan-2-yl-2-methylhex-2-en-1-imine.
What is the SMILES notation for N-butan-2-yl-2-methylhex-2-en-1-imine?
The canonical SMILES for N-butan-2-yl-2-methylhex-2-en-1-imine is CCCC=C(C)/C=N/C(C)CC.
What is the InChIKey of N-butan-2-yl-2-methylhex-2-en-1-imine?
The InChIKey is GIDKHGRVUCEOJL-AVZJTKQCSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-10(3)9-12-11(4)6-2/h8-9,11H,5-7H2,1-4H3/b10-8?,12-9+.
What are the key properties of N-butan-2-yl-2-methylhex-2-en-1-imine?
N-butan-2-yl-2-methylhex-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methylhex-2-en-1-imine is sourced from PubChem (CID 85373398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).