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

C14H29ClN2 — CID 15683562

IUPAC2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine
SMILESCCCN(CCC)C(=CCl)N(CCC)CCC
InChIInChI=1S/C14H29ClN2/c1-5-9-16(10-6-2)14(13-15)17(11-7-3)12-8-4/h13H,5-12H2,1-4H3
InChIKeyYMIHUOTXUOUNKM-UHFFFAOYSA-N
MW260.85 g/mol
LogP4.27
Rot. Bonds10

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

2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine (PubChem CID 15683562) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine.

Molecular Properties

Compound Name2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine
PubChem CID15683562
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC Name2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine
SMILESCCCN(CCC)C(=CCl)N(CCC)CCC
InChIInChI=1S/C14H29ClN2/c1-5-9-16(10-6-2)14(13-15)17(11-7-3)12-8-4/h13H,5-12H2,1-4H3
InChIKeyYMIHUOTXUOUNKM-UHFFFAOYSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine?
The IUPAC name of 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine (CID 15683562) is 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine.
What is the SMILES notation for 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine?
The canonical SMILES for 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine is CCCN(CCC)C(=CCl)N(CCC)CCC.
What is the InChIKey of 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine?
The InChIKey is YMIHUOTXUOUNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClN2/c1-5-9-16(10-6-2)14(13-15)17(11-7-3)12-8-4/h13H,5-12H2,1-4H3.
What are the key properties of 2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine?
2-chloro-1-N,1-N,1-N',1-N'-tetrapropylethene-1,1-diamine has a molecular weight of 260.85 g/mol, XLogP of 4.27, 10 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,1-N',1-N'-tetrapropylethene-1,1-diamine is sourced from PubChem (CID 15683562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).