(1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine

C6H12N2 — CID 89348813

IUPAC(1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine
SMILESC/C=C\C=C(\N)NC
InChIInChI=1S/C6H12N2/c1-3-4-5-6(7)8-2/h3-5,8H,7H2,1-2H3/b4-3-,6-5-
InChIKeySKBSWIQBVARWRD-OUPQRBNQSA-N
MW112.18 g/mol
LogP0.58
Rot. Bonds2

About (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine

(1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine (PubChem CID 89348813) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine
PubChem CID89348813
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine
SMILESC/C=C\C=C(\N)NC
InChIInChI=1S/C6H12N2/c1-3-4-5-6(7)8-2/h3-5,8H,7H2,1-2H3/b4-3-,6-5-
InChIKeySKBSWIQBVARWRD-OUPQRBNQSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine?
The IUPAC name of (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine (CID 89348813) is (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine is C/C=C\C=C(\N)NC.
What is the InChIKey of (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine?
The InChIKey is SKBSWIQBVARWRD-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-5-6(7)8-2/h3-5,8H,7H2,1-2H3/b4-3-,6-5-.
What are the key properties of (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine?
(1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N'-methylpenta-1,3-diene-1,1-diamine is sourced from PubChem (CID 89348813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).