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

C11H17N — CID 89170110

IUPAC(1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)C1CCC1
InChIInChI=1S/C11H17N/c1-3-5-9(2)8-11(12)10-6-4-7-10/h3,5,8,10H,1,4,6-7,12H2,2H3/b9-5-,11-8-
InChIKeyOOUPDBQYELSREZ-DQIWSBTHSA-N
MW163.26 g/mol
LogP2.76
Rot. Bonds3

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

(1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine (PubChem CID 89170110) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine
PubChem CID89170110
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)C1CCC1
InChIInChI=1S/C11H17N/c1-3-5-9(2)8-11(12)10-6-4-7-10/h3,5,8,10H,1,4,6-7,12H2,2H3/b9-5-,11-8-
InChIKeyOOUPDBQYELSREZ-DQIWSBTHSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.76
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 (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine (CID 89170110) is (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine is C=C/C=C(C)\C=C(/N)C1CCC1.
What is the InChIKey of (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine?
The InChIKey is OOUPDBQYELSREZ-DQIWSBTHSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-9(2)8-11(12)10-6-4-7-10/h3,5,8,10H,1,4,6-7,12H2,2H3/b9-5-,11-8-.
What are the key properties of (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89170110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).