1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine

C10H15N — CID 168970776

IUPAC1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine
SMILESC=C/C=C(\C=C)C1(N)CCC1
InChIInChI=1S/C10H15N/c1-3-6-9(4-2)10(11)7-5-8-10/h3-4,6H,1-2,5,7-8,11H2/b9-6+
InChIKeyMAJTYGCFPDIRKJ-RMKNXTFCSA-N
MW149.24 g/mol
LogP2.17
Rot. Bonds3

About 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine

1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine (PubChem CID 168970776) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine
PubChem CID168970776
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine
SMILESC=C/C=C(\C=C)C1(N)CCC1
InChIInChI=1S/C10H15N/c1-3-6-9(4-2)10(11)7-5-8-10/h3-4,6H,1-2,5,7-8,11H2/b9-6+
InChIKeyMAJTYGCFPDIRKJ-RMKNXTFCSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-aminocyclohexyl)-2-ethenyliminobut-3-en-1-one
CID 143102550
1-[(3E)-hexa-1,3,5-trien-3-yl]-1,3-dimethyl-3-[(2E,4Z)-6-methylocta-2,4,7-trien-3-yl]cyclohexane
CID 145389337
ethane;2-[1-[(3E)-hexa-1,3,5-trien-3-yl]cyclopentyl]cyclopenta-1,3-diene
CID 145055342
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidine-4-carbonitrile
CID 143493874
1-aminocyclooctane-1-carbothioamide
CID 64981349
1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
CID 71060763
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]cyclohexane-1-carboxylic acid
CID 130335871
1-buta-1,3-dien-2-ylcyclopentan-1-ol
CID 549059
1-aminocyclobutan-1-ol;hydrochloride
CID 135146045
1-aminocyclopentane-1-carboxylic acid
CID 2901
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine (CID 168970776) is 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine is C=C/C=C(\C=C)C1(N)CCC1.
What is the InChIKey of 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine?
The InChIKey is MAJTYGCFPDIRKJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15N/c1-3-6-9(4-2)10(11)7-5-8-10/h3-4,6H,1-2,5,7-8,11H2/b9-6+.
What are the key properties of 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine?
1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-1,3,5-trien-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 168970776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).