3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine

C15H34N2 — CID 61436771

IUPAC3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CC)CC(CC)CC
InChIInChI=1S/C15H34N2/c1-6-11-14(16)15(9-4)17(10-5)12-13(7-2)8-3/h13-15H,6-12,16H2,1-5H3
InChIKeyOHXXNGQIQUPNGF-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.65
Rot. Bonds10

About 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine

3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine (PubChem CID 61436771) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine
PubChem CID61436771
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CC)CC(CC)CC
InChIInChI=1S/C15H34N2/c1-6-11-14(16)15(9-4)17(10-5)12-13(7-2)8-3/h13-15H,6-12,16H2,1-5H3
InChIKeyOHXXNGQIQUPNGF-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine
CID 79477732
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
N-butan-2-yl-N-ethyl-2-propylpentan-1-amine
CID 177354730
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
3-N-propan-2-yl-3-N-propylheptane-3,4-diamine
CID 43269503
(4R,5R)-octane-4,5-diamine
CID 13138963
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156
3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine
CID 43423216
6-ethyloctan-4-amine
CID 82920638
1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
CID 23135069
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine (CID 61436771) is 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine is CCCC(N)C(CC)N(CC)CC(CC)CC.
What is the InChIKey of 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine?
The InChIKey is OHXXNGQIQUPNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-11-14(16)15(9-4)17(10-5)12-13(7-2)8-3/h13-15H,6-12,16H2,1-5H3.
What are the key properties of 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine?
3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine is sourced from PubChem (CID 61436771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).