(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine

C7H12N2 — CID 134355562

IUPAC(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
SMILESC/C=C\C=C(N)/C=C\N
InChIInChI=1S/C7H12N2/c1-2-3-4-7(9)5-6-8/h2-6H,8-9H2,1H3/b3-2-,6-5-,7-4+
InChIKeyNOCYARZZNOSKMP-SDXWXUEJSA-N
MW124.19 g/mol
LogP0.88
Rot. Bonds2

About (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine

(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine (PubChem CID 134355562) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine.

Molecular Properties

Compound Name(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
PubChem CID134355562
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine
SMILESC/C=C\C=C(N)/C=C\N
InChIInChI=1S/C7H12N2/c1-2-3-4-7(9)5-6-8/h2-6H,8-9H2,1H3/b3-2-,6-5-,7-4+
InChIKeyNOCYARZZNOSKMP-SDXWXUEJSA-N
XLogP0.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.88
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

(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 126626487
(1E,3E,5Z)-4-aminohepta-1,3,5-trien-1-ol
CID 88558814
buta-1,3-diene-1,2,4-triamine
CID 163586800
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(2E,4Z)-hexa-2,4-diene-1,2-diamine
CID 89088938
(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
CID 145347359
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 89016465

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine?
The IUPAC name of (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine (CID 134355562) is (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine.
What is the SMILES notation for (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine?
The canonical SMILES for (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine is C/C=C\C=C(N)/C=C\N.
What is the InChIKey of (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine?
The InChIKey is NOCYARZZNOSKMP-SDXWXUEJSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7(9)5-6-8/h2-6H,8-9H2,1H3/b3-2-,6-5-,7-4+.
What are the key properties of (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine?
(1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-hepta-1,3,5-triene-1,3-diamine is sourced from PubChem (CID 134355562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).