3,5-diethylnonan-3-amine

C13H29N — CID 63408454

IUPAC3,5-diethylnonan-3-amine
SMILESCCCCC(CC)CC(N)(CC)CC
InChIInChI=1S/C13H29N/c1-5-9-10-12(6-2)11-13(14,7-3)8-4/h12H,5-11,14H2,1-4H3
InChIKeyTWERIYHLCRINDP-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.11
Rot. Bonds8

About 3,5-diethylnonan-3-amine

3,5-diethylnonan-3-amine (PubChem CID 63408454) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,5-diethylnonan-3-amine.

Molecular Properties

Compound Name3,5-diethylnonan-3-amine
PubChem CID63408454
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,5-diethylnonan-3-amine
SMILESCCCCC(CC)CC(N)(CC)CC
InChIInChI=1S/C13H29N/c1-5-9-10-12(6-2)11-13(14,7-3)8-4/h12H,5-11,14H2,1-4H3
InChIKeyTWERIYHLCRINDP-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-diethylnonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-triethyloctan-1-amine
CID 63522335
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
2-(aminomethyl)-2,4-diethyloctan-1-ol
CID 106508240
(2S)-2-ethylhexan-1-amine
CID 6999997
1-chloro-4-ethyl-2,2-dimethyloctane
CID 66060389
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
4-ethyl-2,2-dimethylundecane
CID 57148290
5-ethylnonane;5-propylnonane
CID 157441807
6-ethylundecan-6-amine
CID 173250227
5-ethylnonan-5-amine;hydrochloride
CID 174766496

Frequently Asked Questions

What is the IUPAC name of 3,5-diethylnonan-3-amine?
The IUPAC name of 3,5-diethylnonan-3-amine (CID 63408454) is 3,5-diethylnonan-3-amine.
What is the SMILES notation for 3,5-diethylnonan-3-amine?
The canonical SMILES for 3,5-diethylnonan-3-amine is CCCCC(CC)CC(N)(CC)CC.
What is the InChIKey of 3,5-diethylnonan-3-amine?
The InChIKey is TWERIYHLCRINDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-9-10-12(6-2)11-13(14,7-3)8-4/h12H,5-11,14H2,1-4H3.
What are the key properties of 3,5-diethylnonan-3-amine?
3,5-diethylnonan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylnonan-3-amine is sourced from PubChem (CID 63408454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).