N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine

C14H27N — CID 134526755

IUPACN-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
SMILESC=C(CC)C(C)(C)CC(C)/N=C(\C)CC
InChIInChI=1S/C14H27N/c1-8-11(3)14(6,7)10-13(5)15-12(4)9-2/h13H,3,8-10H2,1-2,4-7H3/b15-12+
InChIKeyOKWPQWHIXKOHLJ-NTCAYCPXSA-N
MW209.38 g/mol
LogP4.63
Rot. Bonds6

About N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine

N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine (PubChem CID 134526755) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine.

Molecular Properties

Compound NameN-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
PubChem CID134526755
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
SMILESC=C(CC)C(C)(C)CC(C)/N=C(\C)CC
InChIInChI=1S/C14H27N/c1-8-11(3)14(6,7)10-13(5)15-12(4)9-2/h13H,3,8-10H2,1-2,4-7H3/b15-12+
InChIKeyOKWPQWHIXKOHLJ-NTCAYCPXSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-ylbutan-2-imine
CID 535666
N-[(3R)-5-methylhex-5-en-3-yl]butan-2-imine
CID 163484239
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
2,2-dimethyl-3-methylidenepentane;ethene
CID 145286133
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
N-tert-butyl-2-methylpentan-3-imine
CID 12705448
(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine
CID 143053134
5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine
CID 163596317
N-(propan-2-ylideneamino)butan-2-imine
CID 59062083
(3E,5E,7Z,9E,11E)-2-chloro-3,4,5,6,7,8,9,10,12-nonamethyl-11-(2-methylbutan-2-yl)tetradeca-1,3,5,7,9,11-hexaene
CID 129142433
2,4-dimethyl-3-propan-2-ylhexa-1,3-diene
CID 123298352
N'-[(2R)-3-methylidenepentan-2-yl]carbamimidoyl chloride
CID 163929653

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine?
The IUPAC name of N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine (CID 134526755) is N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine.
What is the SMILES notation for N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine?
The canonical SMILES for N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine is C=C(CC)C(C)(C)CC(C)/N=C(\C)CC.
What is the InChIKey of N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine?
The InChIKey is OKWPQWHIXKOHLJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H27N/c1-8-11(3)14(6,7)10-13(5)15-12(4)9-2/h13H,3,8-10H2,1-2,4-7H3/b15-12+.
What are the key properties of N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine?
N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine is sourced from PubChem (CID 134526755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).