3,6-diethylnonan-2-amine

C13H29N — CID 123222168

IUPAC3,6-diethylnonan-2-amine
SMILESCCCC(CC)CCC(CC)C(C)N
InChIInChI=1S/C13H29N/c1-5-8-12(6-2)9-10-13(7-3)11(4)14/h11-13H,5-10,14H2,1-4H3
InChIKeyQWNITWHIVPNHCV-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.97
Rot. Bonds8

About 3,6-diethylnonan-2-amine

3,6-diethylnonan-2-amine (PubChem CID 123222168) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,6-diethylnonan-2-amine.

Molecular Properties

Compound Name3,6-diethylnonan-2-amine
PubChem CID123222168
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,6-diethylnonan-2-amine
SMILESCCCC(CC)CCC(CC)C(C)N
InChIInChI=1S/C13H29N/c1-5-8-12(6-2)9-10-13(7-3)11(4)14/h11-13H,5-10,14H2,1-4H3
InChIKeyQWNITWHIVPNHCV-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-diethyl-5-methylundecane
CID 59928875
3-ethylheptan-2-amine
CID 61000696
4-ethylheptane;methane
CID 143165373
6-ethyl-3-methylnonane;methane
CID 142358245
CID 160839086
CID 160839086
5-ethyloctan-2-ol
CID 20725141
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
3,5-diethyl-2-methyloctane
CID 57491216
2,8-dimethyl-5-propylnonane
CID 57014492
3-ethyl-5-methoxypentan-2-amine
CID 61000817
(2S)-pentan-2-amine
CID 6997344
3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412123

Frequently Asked Questions

What is the IUPAC name of 3,6-diethylnonan-2-amine?
The IUPAC name of 3,6-diethylnonan-2-amine (CID 123222168) is 3,6-diethylnonan-2-amine.
What is the SMILES notation for 3,6-diethylnonan-2-amine?
The canonical SMILES for 3,6-diethylnonan-2-amine is CCCC(CC)CCC(CC)C(C)N.
What is the InChIKey of 3,6-diethylnonan-2-amine?
The InChIKey is QWNITWHIVPNHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-8-12(6-2)9-10-13(7-3)11(4)14/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 3,6-diethylnonan-2-amine?
3,6-diethylnonan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethylnonan-2-amine is sourced from PubChem (CID 123222168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).