2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine

C12H25ClN2 — CID 134923403

IUPAC2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine
SMILESCCCN(CC)C(=CCl)N(CC)CCC
InChIInChI=1S/C12H25ClN2/c1-5-9-14(7-3)12(11-13)15(8-4)10-6-2/h11H,5-10H2,1-4H3
InChIKeyDMRIPTOKSJLCJP-UHFFFAOYSA-N
MW232.80 g/mol
LogP3.49
Rot. Bonds8

About 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine

2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine (PubChem CID 134923403) has the molecular formula C12H25ClN2 and a molecular weight of 232.80 g/mol. Its IUPAC name is 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine.

Molecular Properties

Compound Name2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine
PubChem CID134923403
Molecular FormulaC12H25ClN2
Molecular Weight232.80 g/mol
Exact Mass232.17
IUPAC Name2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine
SMILESCCCN(CC)C(=CCl)N(CC)CCC
InChIInChI=1S/C12H25ClN2/c1-5-9-14(7-3)12(11-13)15(8-4)10-6-2/h11H,5-10H2,1-4H3
InChIKeyDMRIPTOKSJLCJP-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine
CID 15683562
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
(E)-N,N-dipropylbut-2-enamide
CID 21329403
phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)
CID 175106383
3-amino-1-ethyl-1-propylurea
CID 43269070
2-(dipropylamino)-2-oxoacetyl chloride
CID 131861907
1-ethyl-1,2-dipropylguanidine
CID 62359189
N-ethyl-N-propyl-3-sulfanylpropanamide
CID 107022413
1-ethyl-2,3-dimethyl-1-propylguanidine
CID 131223275
(Z)-N-ethyl-1-(prop-2-enylideneamino)-N-propylprop-1-en-1-amine
CID 174008881
N,N-dipropylethanethioamide
CID 19819320
ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
CID 178019036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine?
The IUPAC name of 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine (CID 134923403) is 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine.
What is the SMILES notation for 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine?
The canonical SMILES for 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine is CCCN(CC)C(=CCl)N(CC)CCC.
What is the InChIKey of 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine?
The InChIKey is DMRIPTOKSJLCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2/c1-5-9-14(7-3)12(11-13)15(8-4)10-6-2/h11H,5-10H2,1-4H3.
What are the key properties of 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine?
2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine has a molecular weight of 232.80 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,1-N'-diethyl-1-N,1-N'-dipropylethene-1,1-diamine is sourced from PubChem (CID 134923403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).