(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine

C6H12N2 — CID 142089102

IUPAC(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine
SMILESCC(/C=C\N)=C/CN
InChIInChI=1S/C6H12N2/c1-6(2-4-7)3-5-8/h2-4H,5,7-8H2,1H3/b4-2-,6-3-
InChIKeyGGFGCPHBWGVCIT-ZUMAWFIWSA-N
MW112.18 g/mol
LogP0.36
Rot. Bonds2

About (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine

(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine (PubChem CID 142089102) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine
PubChem CID142089102
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine
SMILESCC(/C=C\N)=C/CN
InChIInChI=1S/C6H12N2/c1-6(2-4-7)3-5-8/h2-4H,5,7-8H2,1H3/b4-2-,6-3-
InChIKeyGGFGCPHBWGVCIT-ZUMAWFIWSA-N
XLogP0.36
TPSA52.04 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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 137396270
(Z)-4-aminobut-2-ene-2-thiol
CID 143658490
(E)-4-aminobut-2-en-2-ol
CID 163890736
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
(2Z,4E)-4-methylocta-2,4-dien-1-amine
CID 55285493
3-methylpent-2-en-1-amine
CID 76997051
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
3-methylhexa-1,3-dien-1-ol
CID 154284508
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine
CID 134200134
3,5-diaminopent-3-en-2-one
CID 173435914

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine?
The IUPAC name of (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine (CID 142089102) is (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine is CC(/C=C\N)=C/CN.
What is the InChIKey of (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine?
The InChIKey is GGFGCPHBWGVCIT-ZUMAWFIWSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2-4-7)3-5-8/h2-4H,5,7-8H2,1H3/b4-2-,6-3-.
What are the key properties of (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine?
(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine is sourced from PubChem (CID 142089102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).