(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine

C17H28N2 — CID 82042471

IUPAC(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine
SMILESCCCN(CCC)C(CN)C/C=C\c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-13-19(14-4-2)17(15-18)12-8-11-16-9-6-5-7-10-16/h5-11,17H,3-4,12-15,18H2,1-2H3/b11-8-
InChIKeyZEVNKUKVQFZBHJ-FLIBITNWSA-N
MW260.43 g/mol
LogP3.54
Rot. Bonds9

About (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine

(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine (PubChem CID 82042471) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine
PubChem CID82042471
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine
SMILESCCCN(CCC)C(CN)C/C=C\c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-13-19(14-4-2)17(15-18)12-8-11-16-9-6-5-7-10-16/h5-11,17H,3-4,12-15,18H2,1-2H3/b11-8-
InChIKeyZEVNKUKVQFZBHJ-FLIBITNWSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine?
The IUPAC name of (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine (CID 82042471) is (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine.
What is the SMILES notation for (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine?
The canonical SMILES for (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine is CCCN(CCC)C(CN)C/C=C\c1ccccc1.
What is the InChIKey of (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine?
The InChIKey is ZEVNKUKVQFZBHJ-FLIBITNWSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-13-19(14-4-2)17(15-18)12-8-11-16-9-6-5-7-10-16/h5-11,17H,3-4,12-15,18H2,1-2H3/b11-8-.
What are the key properties of (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine?
(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine is sourced from PubChem (CID 82042471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).