2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine

C17H27ClN2 — CID 43830878

IUPAC2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine
SMILESC=CCC(N)(CN(CCC)CCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-4-11-17(19,14-20(12-5-2)13-6-3)15-7-9-16(18)10-8-15/h4,7-10H,1,5-6,11-14,19H2,2-3H3
InChIKeyUEOOLJFQTGERLB-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.19
Rot. Bonds9

About 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine

2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine (PubChem CID 43830878) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine
PubChem CID43830878
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine
SMILESC=CCC(N)(CN(CCC)CCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-4-11-17(19,14-20(12-5-2)13-6-3)15-7-9-16(18)10-8-15/h4,7-10H,1,5-6,11-14,19H2,2-3H3
InChIKeyUEOOLJFQTGERLB-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
The IUPAC name of 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine (CID 43830878) is 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine is C=CCC(N)(CN(CCC)CCC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
The InChIKey is UEOOLJFQTGERLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-11-17(19,14-20(12-5-2)13-6-3)15-7-9-16(18)10-8-15/h4,7-10H,1,5-6,11-14,19H2,2-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine?
2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine has a molecular weight of 294.87 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-N,1-N-dipropylpent-4-ene-1,2-diamine is sourced from PubChem (CID 43830878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).