(3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine

C14H21N — CID 144669164

IUPAC(3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)C1CC2(CC(C)C2)C1
InChIInChI=1S/C14H21N/c1-10-6-14(7-10)8-13(9-14)11(2)4-5-12(3)15/h4-5,10,13H,2-3,6-9,15H2,1H3/b5-4-
InChIKeyDVTKOIBVJNXIMZ-PLNGDYQASA-N
MW203.33 g/mol
LogP3.40
Rot. Bonds3

About (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine

(3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine (PubChem CID 144669164) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine
PubChem CID144669164
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)C1CC2(CC(C)C2)C1
InChIInChI=1S/C14H21N/c1-10-6-14(7-10)8-13(9-14)11(2)4-5-12(3)15/h4-5,10,13H,2-3,6-9,15H2,1H3/b5-4-
InChIKeyDVTKOIBVJNXIMZ-PLNGDYQASA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.40
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-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine (CID 144669164) is (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)C1CC2(CC(C)C2)C1.
What is the InChIKey of (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine?
The InChIKey is DVTKOIBVJNXIMZ-PLNGDYQASA-N. The full InChI is InChI=1S/C14H21N/c1-10-6-14(7-10)8-13(9-14)11(2)4-5-12(3)15/h4-5,10,13H,2-3,6-9,15H2,1H3/b5-4-.
What are the key properties of (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine?
(3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(6-methylspiro[3.3]heptan-2-yl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144669164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).