3,4-diethylnonan-3-amine;hydrochloride

C13H30ClN — CID 173157621

IUPAC3,4-diethylnonan-3-amine;hydrochloride
SMILESCCCCCC(CC)C(N)(CC)CC.Cl
InChIInChI=1S/C13H29N.ClH/c1-5-9-10-11-12(6-2)13(14,7-3)8-4;/h12H,5-11,14H2,1-4H3;1H
InChIKeyFBCSPMDFQDVNTI-UHFFFAOYSA-N
MW235.84 g/mol
LogP4.53
Rot. Bonds8

About 3,4-diethylnonan-3-amine;hydrochloride

3,4-diethylnonan-3-amine;hydrochloride (PubChem CID 173157621) has the molecular formula C13H30ClN and a molecular weight of 235.84 g/mol. Its IUPAC name is 3,4-diethylnonan-3-amine;hydrochloride.

Molecular Properties

Compound Name3,4-diethylnonan-3-amine;hydrochloride
PubChem CID173157621
Molecular FormulaC13H30ClN
Molecular Weight235.84 g/mol
Exact Mass235.21
IUPAC Name3,4-diethylnonan-3-amine;hydrochloride
SMILESCCCCCC(CC)C(N)(CC)CC.Cl
InChIInChI=1S/C13H29N.ClH/c1-5-9-10-11-12(6-2)13(14,7-3)8-4;/h12H,5-11,14H2,1-4H3;1H
InChIKeyFBCSPMDFQDVNTI-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
3,4-diethylundecan-3-amine;hydrobromide
CID 173157515
4-ethylnonane-3,3-diamine
CID 168918748
3-ethyl-2-methylnonan-2-amine
CID 175488413
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine
CID 87777524
3-ethyl-4-methylicosan-3-amine
CID 88992847
3-hexyl-2-methylundecan-2-amine
CID 89005835
(4-ethyl-3-phosphanyloctan-3-yl)phosphane
CID 174710996
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylnonan-3-amine;hydrochloride?
The IUPAC name of 3,4-diethylnonan-3-amine;hydrochloride (CID 173157621) is 3,4-diethylnonan-3-amine;hydrochloride.
What is the SMILES notation for 3,4-diethylnonan-3-amine;hydrochloride?
The canonical SMILES for 3,4-diethylnonan-3-amine;hydrochloride is CCCCCC(CC)C(N)(CC)CC.Cl.
What is the InChIKey of 3,4-diethylnonan-3-amine;hydrochloride?
The InChIKey is FBCSPMDFQDVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.ClH/c1-5-9-10-11-12(6-2)13(14,7-3)8-4;/h12H,5-11,14H2,1-4H3;1H.
What are the key properties of 3,4-diethylnonan-3-amine;hydrochloride?
3,4-diethylnonan-3-amine;hydrochloride has a molecular weight of 235.84 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylnonan-3-amine;hydrochloride is sourced from PubChem (CID 173157621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).