N-(3,6-dimethylheptan-3-yl)ethanimine

C11H23N — CID 123603789

IUPACN-(3,6-dimethylheptan-3-yl)ethanimine
SMILESC/C=N/C(C)(CC)CCC(C)C
InChIInChI=1S/C11H23N/c1-6-11(5,12-7-2)9-8-10(3)4/h7,10H,6,8-9H2,1-5H3/b12-7+
InChIKeyGECNBBNPNVHRPI-KPKJPENVSA-N
MW169.31 g/mol
LogP3.68
Rot. Bonds5

About N-(3,6-dimethylheptan-3-yl)ethanimine

N-(3,6-dimethylheptan-3-yl)ethanimine (PubChem CID 123603789) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(3,6-dimethylheptan-3-yl)ethanimine.

Molecular Properties

Compound NameN-(3,6-dimethylheptan-3-yl)ethanimine
PubChem CID123603789
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(3,6-dimethylheptan-3-yl)ethanimine
SMILESC/C=N/C(C)(CC)CCC(C)C
InChIInChI=1S/C11H23N/c1-6-11(5,12-7-2)9-8-10(3)4/h7,10H,6,8-9H2,1-5H3/b12-7+
InChIKeyGECNBBNPNVHRPI-KPKJPENVSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.68
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

2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane
CID 123624473
3-ethyl-2,3,6-trimethylheptane
CID 53428909
2,5,5,6-tetramethyloctane
CID 53424276
N-(2-methylpentan-2-yl)ethanimine
CID 91118241
3,6-dimethylheptan-3-amine;ethane
CID 156844908
2-ethyl-2,6-dimethylheptanethial
CID 57421669
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
4,4-diethyl-2,7-dimethyloctane
CID 57492571
2,5,8-trimethylnonan-5-ol
CID 58574498
3-methyl-3-(3-methylbutoxy)hexane
CID 91309958
2-ethyl-2,6-dimethylheptanal
CID 57421645
N-(3,6-dimethylhept-1-en-3-yl)methanimine
CID 142048327

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylheptan-3-yl)ethanimine?
The IUPAC name of N-(3,6-dimethylheptan-3-yl)ethanimine (CID 123603789) is N-(3,6-dimethylheptan-3-yl)ethanimine.
What is the SMILES notation for N-(3,6-dimethylheptan-3-yl)ethanimine?
The canonical SMILES for N-(3,6-dimethylheptan-3-yl)ethanimine is C/C=N/C(C)(CC)CCC(C)C.
What is the InChIKey of N-(3,6-dimethylheptan-3-yl)ethanimine?
The InChIKey is GECNBBNPNVHRPI-KPKJPENVSA-N. The full InChI is InChI=1S/C11H23N/c1-6-11(5,12-7-2)9-8-10(3)4/h7,10H,6,8-9H2,1-5H3/b12-7+.
What are the key properties of N-(3,6-dimethylheptan-3-yl)ethanimine?
N-(3,6-dimethylheptan-3-yl)ethanimine has a molecular weight of 169.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylheptan-3-yl)ethanimine is sourced from PubChem (CID 123603789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).