N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine

C13H23N — CID 90884825

IUPACN-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
SMILESC=C(CC(C)(C)C)/N=C/C(=C)C(C)C
InChIInChI=1S/C13H23N/c1-10(2)11(3)9-14-12(4)8-13(5,6)7/h9-10H,3-4,8H2,1-2,5-7H3/b14-9+
InChIKeyIYUQNRHAEDTACR-NTEUORMPSA-N
MW193.33 g/mol
LogP4.22
Rot. Bonds4

About N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine

N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine (PubChem CID 90884825) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
PubChem CID90884825
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
SMILESC=C(CC(C)(C)C)/N=C/C(=C)C(C)C
InChIInChI=1S/C13H23N/c1-10(2)11(3)9-14-12(4)8-13(5,6)7/h9-10H,3-4,8H2,1-2,5-7H3/b14-9+
InChIKeyIYUQNRHAEDTACR-NTEUORMPSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-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

Related Compounds

N-but-1-en-2-yl-2-methylidenepentan-1-imine
CID 90997151
N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
CID 90998038
N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91047286
3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
CID 91075817
N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine
CID 91088958
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246
N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine
CID 91297021
2-methylidene-N-pent-1-en-2-ylbutan-1-imine
CID 91303022
3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91513493
2-methyl-N-pent-1-en-2-ylprop-2-en-1-imine
CID 91565895
3,3-dimethyl-2-methylidene-N-[(Z)-4-methylpent-2-en-3-yl]butan-1-imine
CID 126592683
(Z)-2-methyl-N-pent-1-en-2-ylbut-2-en-1-imine
CID 130321039

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine (CID 90884825) is N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine is C=C(CC(C)(C)C)/N=C/C(=C)C(C)C.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine?
The InChIKey is IYUQNRHAEDTACR-NTEUORMPSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)11(3)9-14-12(4)8-13(5,6)7/h9-10H,3-4,8H2,1-2,5-7H3/b14-9+.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine?
N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 90884825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).