3-chloropropyl(diethyl)azanium

C7H17ClN+ — CID 6994487

IUPAC3-chloropropyl(diethyl)azanium
SMILESCC[NH+](CC)CCCCl
InChIInChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3/p+1
InChIKeyWVUULNDRFBHTFG-UHFFFAOYSA-O
MW150.67 g/mol
LogP0.54
Rot. Bonds5

About 3-chloropropyl(diethyl)azanium

3-chloropropyl(diethyl)azanium (PubChem CID 6994487) has the molecular formula C7H17ClN+ and a molecular weight of 150.67 g/mol. Its IUPAC name is 3-chloropropyl(diethyl)azanium.

Molecular Properties

Compound Name3-chloropropyl(diethyl)azanium
PubChem CID6994487
Molecular FormulaC7H17ClN+
Molecular Weight150.67 g/mol
Exact Mass150.10
IUPAC Name3-chloropropyl(diethyl)azanium
SMILESCC[NH+](CC)CCCCl
InChIInChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3/p+1
InChIKeyWVUULNDRFBHTFG-UHFFFAOYSA-O
XLogP0.54
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dipropylamine, N-(2-chloroethyl)-, hydrochloride
CID 20645
(3-Chloropropyl)(methyl)amine hydrochloride
CID 22107021
3-chloro-N-methylpropan-1-amine
CID 541874
3-Chloro-N-(2-chloroethyl)-N-ethylpropan-1-amine--hydrogen chloride (1/1)
CID 49440
Dibutylamine, N-(2,3-dichloropropyl)-, hydrochloride
CID 58193
Dipropylamine, 2,2'-dichloro-N-methyl-, hydrochloride
CID 58236
Dipropylamine, N-methyl-2,2',3,3'-tetrachloro-, hydrochloride
CID 59214
1-Butanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1)
CID 3040667
1-Propanamine, 2-chloro-N-(3-chloropropyl)-, hydrochloride (1:1)
CID 3060543
N-butyl-N-(2-chloroethyl)butan-1-amine hydrochloride
CID 57350053
3-Chloro-2-methyl-N,N-dimethylpropylamine hydrochloride
CID 134068071
Butyl(3-chloropropyl)amine hydrochloride
CID 13122243

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl(diethyl)azanium?
The IUPAC name of 3-chloropropyl(diethyl)azanium (CID 6994487) is 3-chloropropyl(diethyl)azanium.
What is the SMILES notation for 3-chloropropyl(diethyl)azanium?
The canonical SMILES for 3-chloropropyl(diethyl)azanium is CC[NH+](CC)CCCCl.
What is the InChIKey of 3-chloropropyl(diethyl)azanium?
The InChIKey is WVUULNDRFBHTFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3/p+1.
What are the key properties of 3-chloropropyl(diethyl)azanium?
3-chloropropyl(diethyl)azanium has a molecular weight of 150.67 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(diethyl)azanium is sourced from PubChem (CID 6994487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).