1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride

C7H18Cl2N2 — CID 161482790

IUPAC1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride
SMILESCCNC(Cl)(CC)NCC.Cl
InChIInChI=1S/C7H17ClN2.ClH/c1-4-7(8,9-5-2)10-6-3;/h9-10H,4-6H2,1-3H3;1H
InChIKeyUDTNJZYGWYYLGW-UHFFFAOYSA-N
MW201.14 g/mol
LogP1.93
Rot. Bonds5

About 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride

1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride (PubChem CID 161482790) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride
PubChem CID161482790
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Name1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride
SMILESCCNC(Cl)(CC)NCC.Cl
InChIInChI=1S/C7H17ClN2.ClH/c1-4-7(8,9-5-2)10-6-3;/h9-10H,4-6H2,1-3H3;1H
InChIKeyUDTNJZYGWYYLGW-UHFFFAOYSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trichloropropane;trihydrochloride
CID 175077591
2,2-dichloro-2-(ethylamino)acetaldehyde
CID 130010789
N-ethyl-3-silylpentan-3-amine
CID 173065045
1-N"-ethylpropane-1,1,1-triamine
CID 155147575
2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
CID 65041307
1-chloro-1-iodopropan-1-ol
CID 23322646
1-N",2-diethylbutane-1,1,1,2-tetramine
CID 21242428
2-N,2-diethylbutane-1,2-diamine
CID 62066019
1-chloro-N-ethyl-1-propan-2-ylsilylethanamine
CID 173059485
2-chloro-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 89150301
1-chloro-1-N-ethyl-1-N',1-N',2-trimethyl-2-silylpropane-1,1-diamine
CID 173059198
2-ethyl-2-(ethylamino)but-3-yn-1-ol
CID 55287441

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride?
The IUPAC name of 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride (CID 161482790) is 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride.
What is the SMILES notation for 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride?
The canonical SMILES for 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride is CCNC(Cl)(CC)NCC.Cl.
What is the InChIKey of 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride?
The InChIKey is UDTNJZYGWYYLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClN2.ClH/c1-4-7(8,9-5-2)10-6-3;/h9-10H,4-6H2,1-3H3;1H.
What are the key properties of 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride?
1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-N,1-N'-diethylpropane-1,1-diamine;hydrochloride is sourced from PubChem (CID 161482790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).