3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine

C14H32N2 — CID 79068984

IUPAC3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(CC(C)C)NC
InChIInChI=1S/C14H32N2/c1-8-14(6,16(9-2)10-3)13(15-7)11-12(4)5/h12-13,15H,8-11H2,1-7H3
InChIKeyFOTDEJQCGJFUGA-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds8

About 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine

3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine (PubChem CID 79068984) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine
PubChem CID79068984
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine
SMILESCCN(CC)C(C)(CC)C(CC(C)C)NC
InChIInChI=1S/C14H32N2/c1-8-14(6,16(9-2)10-3)13(15-7)11-12(4)5/h12-13,15H,8-11H2,1-7H3
InChIKeyFOTDEJQCGJFUGA-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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Related Compounds

Propoctamine
CID 107147
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N2-(cycloheptylmethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482174
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(R)-N2-(2-cyclopentylethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482209
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
2-Ethylhexylethylenediamine
CID 19736225
Tetraoctyl diethylenetriamine
CID 129778915
N-(2-Aminoethyl)-N'-(2-ethylhexyl)ethylenediamine
CID 3023073
N'-(2-butyl-3-fluoro-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine
CID 169836101
N-tert-butyl-2-methylheptan-3-amine
CID 10888654
Dioctyl trioctyl diethylenetriamine
CID 129672181

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine (CID 79068984) is 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine is CCN(CC)C(C)(CC)C(CC(C)C)NC.
What is the InChIKey of 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine?
The InChIKey is FOTDEJQCGJFUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-14(6,16(9-2)10-3)13(15-7)11-12(4)5/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine?
3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-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 3-N,3-N-diethyl-4-N,3,6-trimethylheptane-3,4-diamine is sourced from PubChem (CID 79068984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).