(2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine

C8H13N — CID 88572022

IUPAC(2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C=C(\C)N
InChIInChI=1S/C8H13N/c1-4-7(2)5-6-8(3)9/h4-6H,1,9H2,2-3H3/b7-5-,8-6-
InChIKeyDNZUANOWPQBYEM-SFECMWDFSA-N
MW123.20 g/mol
LogP1.98
Rot. Bonds2

About (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine

(2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine (PubChem CID 88572022) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine
PubChem CID88572022
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine
SMILESC=C/C(C)=C\C=C(\C)N
InChIInChI=1S/C8H13N/c1-4-7(2)5-6-8(3)9/h4-6H,1,9H2,2-3H3/b7-5-,8-6-
InChIKeyDNZUANOWPQBYEM-SFECMWDFSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine (CID 88572022) is (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine is C=C/C(C)=C\C=C(\C)N.
What is the InChIKey of (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine?
The InChIKey is DNZUANOWPQBYEM-SFECMWDFSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7(2)5-6-8(3)9/h4-6H,1,9H2,2-3H3/b7-5-,8-6-.
What are the key properties of (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine?
(2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine has a molecular weight of 123.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 88572022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).