(1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine

C12H23N3 — CID 89336476

IUPAC(1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine
SMILESC=C(/C=C\C=C/N)CCN(N)CCCC
InChIInChI=1S/C12H23N3/c1-3-4-10-15(14)11-8-12(2)7-5-6-9-13/h5-7,9H,2-4,8,10-11,13-14H2,1H3/b7-5-,9-6-
InChIKeyOSDOPCREQUSMJA-BSIYMUDXSA-N
MW209.34 g/mol
LogP1.94
Rot. Bonds8

About (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine

(1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine (PubChem CID 89336476) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine
PubChem CID89336476
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine
SMILESC=C(/C=C\C=C/N)CCN(N)CCCC
InChIInChI=1S/C12H23N3/c1-3-4-10-15(14)11-8-12(2)7-5-6-9-13/h5-7,9H,2-4,8,10-11,13-14H2,1H3/b7-5-,9-6-
InChIKeyOSDOPCREQUSMJA-BSIYMUDXSA-N
XLogP1.94
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine (CID 89336476) is (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine is C=C(/C=C\C=C/N)CCN(N)CCCC.
What is the InChIKey of (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine?
The InChIKey is OSDOPCREQUSMJA-BSIYMUDXSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-4-10-15(14)11-8-12(2)7-5-6-9-13/h5-7,9H,2-4,8,10-11,13-14H2,1H3/b7-5-,9-6-.
What are the key properties of (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine?
(1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-7-[amino(butyl)amino]-5-methylidenehepta-1,3-dien-1-amine is sourced from PubChem (CID 89336476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).