2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride

C11H26Cl2N2 — CID 21140406

IUPAC2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride
SMILESCCN(CC)CC(Cl)CN(CC)CC.Cl
InChIInChI=1S/C11H25ClN2.ClH/c1-5-13(6-2)9-11(12)10-14(7-3)8-4;/h11H,5-10H2,1-4H3;1H
InChIKeyNCSOKUUVWFBNOC-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.70
Rot. Bonds8

About 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride

2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride (PubChem CID 21140406) has the molecular formula C11H26Cl2N2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride
PubChem CID21140406
Molecular FormulaC11H26Cl2N2
Molecular Weight257.25 g/mol
Exact Mass256.15
IUPAC Name2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride
SMILESCCN(CC)CC(Cl)CN(CC)CC.Cl
InChIInChI=1S/C11H25ClN2.ClH/c1-5-13(6-2)9-11(12)10-14(7-3)8-4;/h11H,5-10H2,1-4H3;1H
InChIKeyNCSOKUUVWFBNOC-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.70
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 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride (CID 21140406) is 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride is CCN(CC)CC(Cl)CN(CC)CC.Cl.
What is the InChIKey of 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride?
The InChIKey is NCSOKUUVWFBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClN2.ClH/c1-5-13(6-2)9-11(12)10-14(7-3)8-4;/h11H,5-10H2,1-4H3;1H.
What are the key properties of 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride?
2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride has a molecular weight of 257.25 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 21140406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).