N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine

C14H25N — CID 155737149

IUPACN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine
SMILESC=C(/N=C/C(=C)C(C)(C)CC)C(C)(C)C
InChIInChI=1S/C14H25N/c1-9-14(7,8)11(2)10-15-12(3)13(4,5)6/h10H,2-3,9H2,1,4-8H3/b15-10+
InChIKeyYOUYTMOOJXJYAO-XNTDXEJSSA-N
MW207.36 g/mol
LogP4.61
Rot. Bonds4

About N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine

N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine (PubChem CID 155737149) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine
PubChem CID155737149
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine
SMILESC=C(/N=C/C(=C)C(C)(C)CC)C(C)(C)C
InChIInChI=1S/C14H25N/c1-9-14(7,8)11(2)10-15-12(3)13(4,5)6/h10H,2-3,9H2,1,4-8H3/b15-10+
InChIKeyYOUYTMOOJXJYAO-XNTDXEJSSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine (CID 155737149) is N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine is C=C(/N=C/C(=C)C(C)(C)CC)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine?
The InChIKey is YOUYTMOOJXJYAO-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H25N/c1-9-14(7,8)11(2)10-15-12(3)13(4,5)6/h10H,2-3,9H2,1,4-8H3/b15-10+.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine?
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.61, 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)-3,3-dimethyl-2-methylidenepentan-1-imine is sourced from PubChem (CID 155737149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).