(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine

C8H18N2 — CID 171552385

IUPAC(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine
SMILESCNC/C=C\CNC(C)C
InChIInChI=1S/C8H18N2/c1-8(2)10-7-5-4-6-9-3/h4-5,8-10H,6-7H2,1-3H3/b5-4-
InChIKeySAOMEPQEGMYXEX-PLNGDYQASA-N
MW142.25 g/mol
LogP0.76
Rot. Bonds5

About (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine

(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine (PubChem CID 171552385) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine
PubChem CID171552385
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine
SMILESCNC/C=C\CNC(C)C
InChIInChI=1S/C8H18N2/c1-8(2)10-7-5-4-6-9-3/h4-5,8-10H,6-7H2,1-3H3/b5-4-
InChIKeySAOMEPQEGMYXEX-PLNGDYQASA-N
XLogP0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
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 (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine?
The IUPAC name of (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine (CID 171552385) is (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine.
What is the SMILES notation for (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine?
The canonical SMILES for (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine is CNC/C=C\CNC(C)C.
What is the InChIKey of (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine?
The InChIKey is SAOMEPQEGMYXEX-PLNGDYQASA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)10-7-5-4-6-9-3/h4-5,8-10H,6-7H2,1-3H3/b5-4-.
What are the key properties of (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine?
(Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N'-propan-2-ylbut-2-ene-1,4-diamine is sourced from PubChem (CID 171552385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).