N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride

C11H23Cl5N2 — CID 3053598

IUPACN,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride
SMILESCl.ClCCN(CCCl)CCCN(CCCl)CCCl
InChIInChI=1S/C11H22Cl4N2.ClH/c12-2-8-16(9-3-13)6-1-7-17(10-4-14)11-5-15;/h1-11H2;1H
InChIKeyYLSZEBXULWUEKF-UHFFFAOYSA-N
MW360.58 g/mol
LogP3.36
Rot. Bonds12

About N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride

N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride (PubChem CID 3053598) has the molecular formula C11H23Cl5N2 and a molecular weight of 360.58 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride
PubChem CID3053598
Molecular FormulaC11H23Cl5N2
Molecular Weight360.58 g/mol
Exact Mass358.03
IUPAC NameN,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride
SMILESCl.ClCCN(CCCl)CCCN(CCCl)CCCl
InChIInChI=1S/C11H22Cl4N2.ClH/c12-2-8-16(9-3-13)6-1-7-17(10-4-14)11-5-15;/h1-11H2;1H
InChIKeyYLSZEBXULWUEKF-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride (CID 3053598) is N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride is Cl.ClCCN(CCCl)CCCN(CCCl)CCCl.
What is the InChIKey of N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride?
The InChIKey is YLSZEBXULWUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl4N2.ClH/c12-2-8-16(9-3-13)6-1-7-17(10-4-14)11-5-15;/h1-11H2;1H.
What are the key properties of N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride?
N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride has a molecular weight of 360.58 g/mol, XLogP of 3.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-chloroethyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 3053598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).