N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine

C13H25N — CID 139551304

IUPACN-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C[C@H](C)CC(C)CC)CC
InChIInChI=1S/C13H25N/c1-6-11(3)8-13(5)10-14-9-12(4)7-2/h9,11,13H,4,6-8,10H2,1-3,5H3/b14-9+/t11?,13-/m1/s1
InChIKeyKWNODUVVBAGMJF-UQXPJIHOSA-N
MW195.35 g/mol
LogP4.10
Rot. Bonds7

About N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine

N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine (PubChem CID 139551304) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine
PubChem CID139551304
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C[C@H](C)CC(C)CC)CC
InChIInChI=1S/C13H25N/c1-6-11(3)8-13(5)10-14-9-12(4)7-2/h9,11,13H,4,6-8,10H2,1-3,5H3/b14-9+/t11?,13-/m1/s1
InChIKeyKWNODUVVBAGMJF-UQXPJIHOSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.10
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

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4,6-dimethyl-3-methylideneoct-1-en-2-amine
CID 143352290
N'-(2-methylbutyl)methanimidamide
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(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
3-methyl-8-methylidenedec-5-ene
CID 123575527
2,4,6,8-tetramethyldecane
CID 54224604
3,5,7,10,12-pentamethyltetradecane
CID 59582352
1-fluoro-2,4-dimethylhexane
CID 123953899
methyl N-(2-methylbutyl)methanimidothioate
CID 123835889
(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine?
The IUPAC name of N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine (CID 139551304) is N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine.
What is the SMILES notation for N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine?
The canonical SMILES for N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine is C=C(/C=N/C[C@H](C)CC(C)CC)CC.
What is the InChIKey of N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine?
The InChIKey is KWNODUVVBAGMJF-UQXPJIHOSA-N. The full InChI is InChI=1S/C13H25N/c1-6-11(3)8-13(5)10-14-9-12(4)7-2/h9,11,13H,4,6-8,10H2,1-3,5H3/b14-9+/t11?,13-/m1/s1.
What are the key properties of N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine?
N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,4-dimethylhexyl]-2-methylidenebutan-1-imine is sourced from PubChem (CID 139551304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).