1-N,1-N'-dipentylpent-1-ene-1,1-diamine

C15H32N2 — CID 139931006

IUPAC1-N,1-N'-dipentylpent-1-ene-1,1-diamine
SMILESCCCC=C(NCCCCC)NCCCCC
InChIInChI=1S/C15H32N2/c1-4-7-10-13-16-15(12-9-6-3)17-14-11-8-5-2/h12,16-17H,4-11,13-14H2,1-3H3
InChIKeyJZXPXJDDKDTGTD-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.19
Rot. Bonds12

About 1-N,1-N'-dipentylpent-1-ene-1,1-diamine

1-N,1-N'-dipentylpent-1-ene-1,1-diamine (PubChem CID 139931006) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N,1-N'-dipentylpent-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dipentylpent-1-ene-1,1-diamine
PubChem CID139931006
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N,1-N'-dipentylpent-1-ene-1,1-diamine
SMILESCCCC=C(NCCCCC)NCCCCC
InChIInChI=1S/C15H32N2/c1-4-7-10-13-16-15(12-9-6-3)17-14-11-8-5-2/h12,16-17H,4-11,13-14H2,1-3H3
InChIKeyJZXPXJDDKDTGTD-UHFFFAOYSA-N
XLogP4.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dipentylpent-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dipentylpent-1-ene-1,1-diamine (CID 139931006) is 1-N,1-N'-dipentylpent-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dipentylpent-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dipentylpent-1-ene-1,1-diamine is CCCC=C(NCCCCC)NCCCCC.
What is the InChIKey of 1-N,1-N'-dipentylpent-1-ene-1,1-diamine?
The InChIKey is JZXPXJDDKDTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-7-10-13-16-15(12-9-6-3)17-14-11-8-5-2/h12,16-17H,4-11,13-14H2,1-3H3.
What are the key properties of 1-N,1-N'-dipentylpent-1-ene-1,1-diamine?
1-N,1-N'-dipentylpent-1-ene-1,1-diamine has a molecular weight of 240.43 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dipentylpent-1-ene-1,1-diamine is sourced from PubChem (CID 139931006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).