N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine

C16H31N — CID 123459444

IUPACN-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
SMILESC=C(C)C(CC(C)C)/N=C(\C)CC(C)(C)CC
InChIInChI=1S/C16H31N/c1-9-16(7,8)11-14(6)17-15(13(4)5)10-12(2)3/h12,15H,4,9-11H2,1-3,5-8H3/b17-14+
InChIKeyIVZGGLFUPBVOTN-SAPNQHFASA-N
MW237.43 g/mol
LogP5.26
Rot. Bonds7

About N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine

N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine (PubChem CID 123459444) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine.

Molecular Properties

Compound NameN-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
PubChem CID123459444
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
SMILESC=C(C)C(CC(C)C)/N=C(\C)CC(C)(C)CC
InChIInChI=1S/C16H31N/c1-9-16(7,8)11-14(6)17-15(13(4)5)10-12(2)3/h12,15H,4,9-11H2,1-3,5-8H3/b17-14+
InChIKeyIVZGGLFUPBVOTN-SAPNQHFASA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.26
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

4,5-dimethyl-2-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 91316764
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
4-methyl-N-(2-methylpent-1-en-3-yl)pentan-2-imine
CID 123575717
3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine
CID 123648430
N-ethyl-6,9,11-trimethyl-9-propyldodec-11-en-2-imine
CID 123930924
N-(3,5-dimethyl-4-methylidenehex-5-en-2-yl)butan-2-imine
CID 126695537
7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine
CID 129143347
5-Tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
CID 129288136
N-(4,4-dimethyl-5-methylideneheptan-2-yl)butan-2-imine
CID 134526755
2-methyl-N-(3-methyl-2-methylidenebutyl)hexan-3-imine
CID 135230937
6-Tert-butyl-4,4-dimethyl-3-methylidene-2,5-dihydropyridine
CID 160101978
3,3-dimethyl-N-(3,5,5-trimethyl-4-methylidenehexan-2-yl)butan-2-imine
CID 167253194

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine?
The IUPAC name of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine (CID 123459444) is N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine.
What is the SMILES notation for N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine?
The canonical SMILES for N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine is C=C(C)C(CC(C)C)/N=C(\C)CC(C)(C)CC.
What is the InChIKey of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine?
The InChIKey is IVZGGLFUPBVOTN-SAPNQHFASA-N. The full InChI is InChI=1S/C16H31N/c1-9-16(7,8)11-14(6)17-15(13(4)5)10-12(2)3/h12,15H,4,9-11H2,1-3,5-8H3/b17-14+.
What are the key properties of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine?
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine has a molecular weight of 237.43 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine is sourced from PubChem (CID 123459444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).