(Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine

C12H28N4 — CID 88897445

IUPAC(Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine
SMILESCCCCCN/C(N)=C(/N)NCCCCC
InChIInChI=1S/C12H28N4/c1-3-5-7-9-15-11(13)12(14)16-10-8-6-4-2/h15-16H,3-10,13-14H2,1-2H3/b12-11-
InChIKeyMMDAZDHBNBRIRT-QXMHVHEDSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds10

About (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine

(Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine (PubChem CID 88897445) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine.

Molecular Properties

Compound Name(Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine
PubChem CID88897445
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name(Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine
SMILESCCCCCN/C(N)=C(/N)NCCCCC
InChIInChI=1S/C12H28N4/c1-3-5-7-9-15-11(13)12(14)16-10-8-6-4-2/h15-16H,3-10,13-14H2,1-2H3/b12-11-
InChIKeyMMDAZDHBNBRIRT-QXMHVHEDSA-N
XLogP1.59
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine?
The IUPAC name of (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine (CID 88897445) is (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine.
What is the SMILES notation for (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine?
The canonical SMILES for (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine is CCCCCN/C(N)=C(/N)NCCCCC.
What is the InChIKey of (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine?
The InChIKey is MMDAZDHBNBRIRT-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H28N4/c1-3-5-7-9-15-11(13)12(14)16-10-8-6-4-2/h15-16H,3-10,13-14H2,1-2H3/b12-11-.
What are the key properties of (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine?
(Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine is sourced from PubChem (CID 88897445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).