2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine

C14H32N2 — CID 79445200

IUPAC2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
SMILESCCNC(C(C)CC)C(C)(C)N(CC)CC
InChIInChI=1S/C14H32N2/c1-8-12(5)13(15-9-2)14(6,7)16(10-3)11-4/h12-13,15H,8-11H2,1-7H3
InChIKeyKNWRJJXVCQIXJS-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds8

About 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine

2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine (PubChem CID 79445200) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
PubChem CID79445200
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
SMILESCCNC(C(C)CC)C(C)(C)N(CC)CC
InChIInChI=1S/C14H32N2/c1-8-12(5)13(15-9-2)14(6,7)16(10-3)11-4/h12-13,15H,8-11H2,1-7H3
InChIKeyKNWRJJXVCQIXJS-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine?
The IUPAC name of 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine (CID 79445200) is 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine.
What is the SMILES notation for 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine?
The canonical SMILES for 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine is CCNC(C(C)CC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine?
The InChIKey is KNWRJJXVCQIXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-12(5)13(15-9-2)14(6,7)16(10-3)11-4/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine?
2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine is sourced from PubChem (CID 79445200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).