(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine

C15H30N4 — CID 146579877

IUPAC(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine
SMILESCCC/C(=C\C(N)/C(=C\CN)C1CCN(C)N1)CC
InChIInChI=1S/C15H30N4/c1-4-6-12(5-2)11-14(17)13(7-9-16)15-8-10-19(3)18-15/h7,11,14-15,18H,4-6,8-10,16-17H2,1-3H3/b12-11-,13-7+
InChIKeyLGMPISJQWOVYAG-CGOMRYJBSA-N
MW266.43 g/mol
LogP1.54
Rot. Bonds7

About (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine

(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine (PubChem CID 146579877) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine.

Molecular Properties

Compound Name(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine
PubChem CID146579877
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine
SMILESCCC/C(=C\C(N)/C(=C\CN)C1CCN(C)N1)CC
InChIInChI=1S/C15H30N4/c1-4-6-12(5-2)11-14(17)13(7-9-16)15-8-10-19(3)18-15/h7,11,14-15,18H,4-6,8-10,16-17H2,1-3H3/b12-11-,13-7+
InChIKeyLGMPISJQWOVYAG-CGOMRYJBSA-N
XLogP1.54
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine?
The IUPAC name of (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine (CID 146579877) is (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine.
What is the SMILES notation for (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine?
The canonical SMILES for (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine is CCC/C(=C\C(N)/C(=C\CN)C1CCN(C)N1)CC.
What is the InChIKey of (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine?
The InChIKey is LGMPISJQWOVYAG-CGOMRYJBSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-6-12(5-2)11-14(17)13(7-9-16)15-8-10-19(3)18-15/h7,11,14-15,18H,4-6,8-10,16-17H2,1-3H3/b12-11-,13-7+.
What are the key properties of (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine?
(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine has a molecular weight of 266.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine is sourced from PubChem (CID 146579877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).