(3Z)-5-methylhexa-1,3,5-trien-2-amine

C7H11N — CID 87058792

IUPAC(3Z)-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N
InChIInChI=1S/C7H11N/c1-6(2)4-5-7(3)8/h4-5H,1,3,8H2,2H3/b5-4-
InChIKeyMMHXAVQKGNNYBB-PLNGDYQASA-N
MW109.17 g/mol
LogP1.59
Rot. Bonds2

About (3Z)-5-methylhexa-1,3,5-trien-2-amine

(3Z)-5-methylhexa-1,3,5-trien-2-amine (PubChem CID 87058792) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (3Z)-5-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-methylhexa-1,3,5-trien-2-amine
PubChem CID87058792
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(3Z)-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N
InChIInChI=1S/C7H11N/c1-6(2)4-5-7(3)8/h4-5H,1,3,8H2,2H3/b5-4-
InChIKeyMMHXAVQKGNNYBB-PLNGDYQASA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.59
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 (3Z)-5-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-methylhexa-1,3,5-trien-2-amine (CID 87058792) is (3Z)-5-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-methylhexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)N.
What is the InChIKey of (3Z)-5-methylhexa-1,3,5-trien-2-amine?
The InChIKey is MMHXAVQKGNNYBB-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11N/c1-6(2)4-5-7(3)8/h4-5H,1,3,8H2,2H3/b5-4-.
What are the key properties of (3Z)-5-methylhexa-1,3,5-trien-2-amine?
(3Z)-5-methylhexa-1,3,5-trien-2-amine has a molecular weight of 109.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 87058792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).