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

C10H19N — CID 85381401

IUPACN-butan-2-yl-2-methylpent-2-en-1-imine
SMILESCCC=C(C)/C=N/C(C)CC
InChIInChI=1S/C10H19N/c1-5-7-9(3)8-11-10(4)6-2/h7-8,10H,5-6H2,1-4H3/b9-7?,11-8+
InChIKeyHJABGVKRUAEMTB-USAYTYELSA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds4

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

N-butan-2-yl-2-methylpent-2-en-1-imine (PubChem CID 85381401) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-butan-2-yl-2-methylpent-2-en-1-imine.

Molecular Properties

Compound NameN-butan-2-yl-2-methylpent-2-en-1-imine
PubChem CID85381401
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-butan-2-yl-2-methylpent-2-en-1-imine
SMILESCCC=C(C)/C=N/C(C)CC
InChIInChI=1S/C10H19N/c1-5-7-9(3)8-11-10(4)6-2/h7-8,10H,5-6H2,1-4H3/b9-7?,11-8+
InChIKeyHJABGVKRUAEMTB-USAYTYELSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.21
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
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
3-Fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 141929354
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)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
CID 171493683
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
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)-2-ethylidene-3,3-difluoro-N-propan-2-ylpentan-1-imine
CID 171493176

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methylpent-2-en-1-imine?
The IUPAC name of N-butan-2-yl-2-methylpent-2-en-1-imine (CID 85381401) is N-butan-2-yl-2-methylpent-2-en-1-imine.
What is the SMILES notation for N-butan-2-yl-2-methylpent-2-en-1-imine?
The canonical SMILES for N-butan-2-yl-2-methylpent-2-en-1-imine is CCC=C(C)/C=N/C(C)CC.
What is the InChIKey of N-butan-2-yl-2-methylpent-2-en-1-imine?
The InChIKey is HJABGVKRUAEMTB-USAYTYELSA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-9(3)8-11-10(4)6-2/h7-8,10H,5-6H2,1-4H3/b9-7?,11-8+.
What are the key properties of N-butan-2-yl-2-methylpent-2-en-1-imine?
N-butan-2-yl-2-methylpent-2-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 4 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-methylpent-2-en-1-imine is sourced from PubChem (CID 85381401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).