1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine

C10H23ClN2 — CID 57473325

IUPAC1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine
SMILESCCN(CC)CC(Cl)N(CC)CC
InChIInChI=1S/C10H23ClN2/c1-5-12(6-2)9-10(11)13(7-3)8-4/h10H,5-9H2,1-4H3
InChIKeySNWUBOVMROWMQQ-UHFFFAOYSA-N
MW206.76 g/mol
LogP2.23
Rot. Bonds7

About 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine

1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine (PubChem CID 57473325) has the molecular formula C10H23ClN2 and a molecular weight of 206.76 g/mol. Its IUPAC name is 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine.

Molecular Properties

Compound Name1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine
PubChem CID57473325
Molecular FormulaC10H23ClN2
Molecular Weight206.76 g/mol
Exact Mass206.15
IUPAC Name1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine
SMILESCCN(CC)CC(Cl)N(CC)CC
InChIInChI=1S/C10H23ClN2/c1-5-12(6-2)9-10(11)13(7-3)8-4/h10H,5-9H2,1-4H3
InChIKeySNWUBOVMROWMQQ-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N,N',N'-tetraethylpropane-1,3-diamine;hydrochloride
CID 21140406
1-chloro-N,N,N',N'-tetrapropylethane-1,2-diamine
CID 91186850
1,4-bis(diethylamino)butane-1,3-diol
CID 91528509
N,N-diethyl-2,3-dimethylbutan-1-amine;ethane
CID 144788920
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
CID 174643223
CID 174643223
1-N,1-N-diethyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 57251767
N,N-diethylethanamine;ethane
CID 22114990
(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
CID 137346902
2-chloro-2-(diethylamino)acetaldehyde
CID 88821682
N,N-diethyl-2,2-dimethoxyethanamine
CID 21281611
N,N-diethylethanamine;hypochlorous acid
CID 87187871

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine?
The IUPAC name of 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine (CID 57473325) is 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine.
What is the SMILES notation for 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine?
The canonical SMILES for 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine is CCN(CC)CC(Cl)N(CC)CC.
What is the InChIKey of 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine?
The InChIKey is SNWUBOVMROWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClN2/c1-5-12(6-2)9-10(11)13(7-3)8-4/h10H,5-9H2,1-4H3.
What are the key properties of 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine?
1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine has a molecular weight of 206.76 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N,N',N'-tetraethylethane-1,2-diamine is sourced from PubChem (CID 57473325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).