N'-(4-chlorobutyl)ethane-1,2-diamine

C6H15ClN2 — CID 143067580

IUPACN'-(4-chlorobutyl)ethane-1,2-diamine
SMILESNCCNCCCCCl
InChIInChI=1S/C6H15ClN2/c7-3-1-2-5-9-6-4-8/h9H,1-6,8H2
InChIKeyIZOSCHNTPVEWLM-UHFFFAOYSA-N
MW150.65 g/mol
LogP0.55
Rot. Bonds6

About N'-(4-chlorobutyl)ethane-1,2-diamine

N'-(4-chlorobutyl)ethane-1,2-diamine (PubChem CID 143067580) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is N'-(4-chlorobutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorobutyl)ethane-1,2-diamine
PubChem CID143067580
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC NameN'-(4-chlorobutyl)ethane-1,2-diamine
SMILESNCCNCCCCCl
InChIInChI=1S/C6H15ClN2/c7-3-1-2-5-9-6-4-8/h9H,1-6,8H2
InChIKeyIZOSCHNTPVEWLM-UHFFFAOYSA-N
XLogP0.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloropentyl)hexadecane-1,16-diamine;dihydrochloride
CID 162312314
6-chloro-N-(2-fluoroethyl)hexan-1-amine
CID 107845571
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(2-aminoethyl)ethane-1,2-diamine;copper;sulfuric acid
CID 175486364
N'-(5-hydrazinylpentyl)ethane-1,2-diamine
CID 159881445

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobutyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-chlorobutyl)ethane-1,2-diamine (CID 143067580) is N'-(4-chlorobutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorobutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorobutyl)ethane-1,2-diamine is NCCNCCCCCl.
What is the InChIKey of N'-(4-chlorobutyl)ethane-1,2-diamine?
The InChIKey is IZOSCHNTPVEWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClN2/c7-3-1-2-5-9-6-4-8/h9H,1-6,8H2.
What are the key properties of N'-(4-chlorobutyl)ethane-1,2-diamine?
N'-(4-chlorobutyl)ethane-1,2-diamine has a molecular weight of 150.65 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobutyl)ethane-1,2-diamine is sourced from PubChem (CID 143067580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).