N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine

C13H25N — CID 137466889

IUPACN-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine
SMILESC=C(/N=C(\CC)C(C)CC)C(C)(C)C
InChIInChI=1S/C13H25N/c1-8-10(3)12(9-2)14-11(4)13(5,6)7/h10H,4,8-9H2,1-3,5-7H3/b14-12+
InChIKeyHGZZJYSYRKDKJZ-WYMLVPIESA-N
MW195.35 g/mol
LogP4.44
Rot. Bonds4

About N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine

N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine (PubChem CID 137466889) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine
PubChem CID137466889
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine
SMILESC=C(/N=C(\CC)C(C)CC)C(C)(C)C
InChIInChI=1S/C13H25N/c1-8-10(3)12(9-2)14-11(4)13(5,6)7/h10H,4,8-9H2,1-3,5-7H3/b14-12+
InChIKeyHGZZJYSYRKDKJZ-WYMLVPIESA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.44
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-N-penta-1,2-dien-3-ylpentan-3-imine
CID 88909988
3,5-dimethyl-N-penta-2,3-dien-2-ylhexan-2-imine
CID 130179588
2,4-dimethyl-N-prop-1-en-2-ylhexan-3-imine
CID 130277948
4-methyl-N-(4-methylpent-1-en-2-yl)pentan-2-imine
CID 139454619
4-methyl-N-prop-1-en-2-ylhexan-2-imine;propane
CID 142387756
N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethylpentan-3-imine
CID 146406256
(4R)-4-methyl-N-prop-1-en-2-ylhexan-3-imine
CID 146947421
N-(3,3-dimethylbut-1-en-2-yl)-3-methylheptan-2-imine
CID 156272059
N-but-1-en-2-yl-4-methyl-3-methylidenepentan-2-imine
CID 156641461
4-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-imine
CID 169813059
4-methyl-N-prop-1-en-2-ylhexan-2-imine
CID 142387757
4-methyl-3-methylidene-N-prop-1-en-2-ylhexan-2-imine
CID 177243657

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine (CID 137466889) is N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine is C=C(/N=C(\CC)C(C)CC)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine?
The InChIKey is HGZZJYSYRKDKJZ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25N/c1-8-10(3)12(9-2)14-11(4)13(5,6)7/h10H,4,8-9H2,1-3,5-7H3/b14-12+.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine?
N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine has a molecular weight of 195.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-4-methylhexan-3-imine is sourced from PubChem (CID 137466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).