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

C8H14N2 — CID 89293968

IUPAC(3Z)-5-methylidenehepta-1,3-diene-1,1-diamine
SMILESC=C(/C=C\C=C(N)N)CC
InChIInChI=1S/C8H14N2/c1-3-7(2)5-4-6-8(9)10/h4-6H,2-3,9-10H2,1H3/b5-4-
InChIKeyUEZLCORFTLNSLY-PLNGDYQASA-N
MW138.21 g/mol
LogP1.27
Rot. Bonds3

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

(3Z)-5-methylidenehepta-1,3-diene-1,1-diamine (PubChem CID 89293968) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(3Z)-5-methylidenehepta-1,3-diene-1,1-diamine
PubChem CID89293968
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3Z)-5-methylidenehepta-1,3-diene-1,1-diamine
SMILESC=C(/C=C\C=C(N)N)CC
InChIInChI=1S/C8H14N2/c1-3-7(2)5-4-6-8(9)10/h4-6H,2-3,9-10H2,1H3/b5-4-
InChIKeyUEZLCORFTLNSLY-PLNGDYQASA-N
XLogP1.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.27
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 (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine?
The IUPAC name of (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine (CID 89293968) is (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine.
What is the SMILES notation for (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine?
The canonical SMILES for (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine is C=C(/C=C\C=C(N)N)CC.
What is the InChIKey of (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine?
The InChIKey is UEZLCORFTLNSLY-PLNGDYQASA-N. The full InChI is InChI=1S/C8H14N2/c1-3-7(2)5-4-6-8(9)10/h4-6H,2-3,9-10H2,1H3/b5-4-.
What are the key properties of (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine?
(3Z)-5-methylidenehepta-1,3-diene-1,1-diamine has a molecular weight of 138.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylidenehepta-1,3-diene-1,1-diamine is sourced from PubChem (CID 89293968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).