N-ethynyl-2,6-dimethylheptan-3-imine

C11H19N — CID 129068165

IUPACN-ethynyl-2,6-dimethylheptan-3-imine
SMILESC#C/N=C(\CCC(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-12-11(10(4)5)8-7-9(2)3/h1,9-10H,7-8H2,2-5H3/b12-11+
InChIKeyHWRBQGOGTATPBB-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.11
Rot. Bonds4

About N-ethynyl-2,6-dimethylheptan-3-imine

N-ethynyl-2,6-dimethylheptan-3-imine (PubChem CID 129068165) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-ethynyl-2,6-dimethylheptan-3-imine.

Molecular Properties

Compound NameN-ethynyl-2,6-dimethylheptan-3-imine
PubChem CID129068165
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-ethynyl-2,6-dimethylheptan-3-imine
SMILESC#C/N=C(\CCC(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-6-12-11(10(4)5)8-7-9(2)3/h1,9-10H,7-8H2,2-5H3/b12-11+
InChIKeyHWRBQGOGTATPBB-VAWYXSNFSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2,6-trimethylheptan-3-imine
CID 59889276
5-methylhex-1-en-2-ylphosphane
CID 143105119
5-methyl-2-propan-2-ylhex-1-en-1-ol
CID 164522577
copper(1+);4-methylpentanoate
CID 159345928
2,8-dimethyl-5-methylidenenonane
CID 545812
N-(4-methyl-1-silylpentylidene)hydroxylamine
CID 174561312
2,7-dimethyl-4-propan-2-yloct-3-ene
CID 123373088
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
CID 49396489
N-ethynylpropan-2-imine
CID 18737205
3-ethyl-N-ethynyl-2,2,6-trimethyloct-7-en-4-imine
CID 137412467
4-methyl-N'-propan-2-ylpentanimidamide
CID 63181653
5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
CID 175146377

Frequently Asked Questions

What is the IUPAC name of N-ethynyl-2,6-dimethylheptan-3-imine?
The IUPAC name of N-ethynyl-2,6-dimethylheptan-3-imine (CID 129068165) is N-ethynyl-2,6-dimethylheptan-3-imine.
What is the SMILES notation for N-ethynyl-2,6-dimethylheptan-3-imine?
The canonical SMILES for N-ethynyl-2,6-dimethylheptan-3-imine is C#C/N=C(\CCC(C)C)C(C)C.
What is the InChIKey of N-ethynyl-2,6-dimethylheptan-3-imine?
The InChIKey is HWRBQGOGTATPBB-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-6-12-11(10(4)5)8-7-9(2)3/h1,9-10H,7-8H2,2-5H3/b12-11+.
What are the key properties of N-ethynyl-2,6-dimethylheptan-3-imine?
N-ethynyl-2,6-dimethylheptan-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-2,6-dimethylheptan-3-imine is sourced from PubChem (CID 129068165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).