(E)-N,N'-dimethyl-N'-propylethene-1,2-diamine

C7H16N2 — CID 147329171

IUPAC(E)-N,N'-dimethyl-N'-propylethene-1,2-diamine
SMILESCCCN(C)/C=C/NC
InChIInChI=1S/C7H16N2/c1-4-6-9(3)7-5-8-2/h5,7-8H,4,6H2,1-3H3/b7-5+
InChIKeyDBICUKLCPXNWQQ-FNORWQNLSA-N
MW128.22 g/mol
LogP1.02
Rot. Bonds4

About (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine

(E)-N,N'-dimethyl-N'-propylethene-1,2-diamine (PubChem CID 147329171) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N,N'-dimethyl-N'-propylethene-1,2-diamine
PubChem CID147329171
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-N,N'-dimethyl-N'-propylethene-1,2-diamine
SMILESCCCN(C)/C=C/NC
InChIInChI=1S/C7H16N2/c1-4-6-9(3)7-5-8-2/h5,7-8H,4,6H2,1-3H3/b7-5+
InChIKeyDBICUKLCPXNWQQ-FNORWQNLSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine?
The IUPAC name of (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine (CID 147329171) is (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine.
What is the SMILES notation for (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine?
The canonical SMILES for (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine is CCCN(C)/C=C/NC.
What is the InChIKey of (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine?
The InChIKey is DBICUKLCPXNWQQ-FNORWQNLSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-6-9(3)7-5-8-2/h5,7-8H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine?
(E)-N,N'-dimethyl-N'-propylethene-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-dimethyl-N'-propylethene-1,2-diamine is sourced from PubChem (CID 147329171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).