4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine

C12H27N3 — CID 123337805

IUPAC4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine
SMILESC/N=C/CN(C)C(CC(C)(C)N)C(C)C
InChIInChI=1S/C12H27N3/c1-10(2)11(9-12(3,4)13)15(6)8-7-14-5/h7,10-11H,8-9,13H2,1-6H3/b14-7+
InChIKeyCEEKCPKTFGAROW-VGOFMYFVSA-N
MW213.37 g/mol
LogP1.77
Rot. Bonds6

About 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine

4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine (PubChem CID 123337805) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine.

Molecular Properties

Compound Name4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine
PubChem CID123337805
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine
SMILESC/N=C/CN(C)C(CC(C)(C)N)C(C)C
InChIInChI=1S/C12H27N3/c1-10(2)11(9-12(3,4)13)15(6)8-7-14-5/h7,10-11H,8-9,13H2,1-6H3/b14-7+
InChIKeyCEEKCPKTFGAROW-VGOFMYFVSA-N
XLogP1.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-Amino-2-methylhexyl)-ethylidene-pentylazanium
CID 123149327
(1S)-3-methylimino-1-[(3R)-1-methylpyrrolidin-3-yl]propan-1-amine
CID 149479585
(3R)-6-(ethylideneamino)-N-(2-iminoethyl)-4-methylheptan-3-amine
CID 174335021

Frequently Asked Questions

What is the IUPAC name of 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine?
The IUPAC name of 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine (CID 123337805) is 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine.
What is the SMILES notation for 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine?
The canonical SMILES for 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine is C/N=C/CN(C)C(CC(C)(C)N)C(C)C.
What is the InChIKey of 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine?
The InChIKey is CEEKCPKTFGAROW-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)11(9-12(3,4)13)15(6)8-7-14-5/h7,10-11H,8-9,13H2,1-6H3/b14-7+.
What are the key properties of 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine?
4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2,5-trimethyl-4-N-(2-methyliminoethyl)hexane-2,4-diamine is sourced from PubChem (CID 123337805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).