2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine

C11H17N — CID 126706666

IUPAC2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine
SMILESC=C/C=C(C)\C=C(/C)C1CC1N
InChIInChI=1S/C11H17N/c1-4-5-8(2)6-9(3)10-7-11(10)12/h4-6,10-11H,1,7,12H2,2-3H3/b8-5-,9-6+
InChIKeyJYSPVIVTBHBWTG-LDFAFZTOSA-N
MW163.26 g/mol
LogP2.41
Rot. Bonds3

About 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine

2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine (PubChem CID 126706666) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine
PubChem CID126706666
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine
SMILESC=C/C=C(C)\C=C(/C)C1CC1N
InChIInChI=1S/C11H17N/c1-4-5-8(2)6-9(3)10-7-11(10)12/h4-6,10-11H,1,7,12H2,2-3H3/b8-5-,9-6+
InChIKeyJYSPVIVTBHBWTG-LDFAFZTOSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-1-cyclobutyl-3-methylhexa-1,3,5-trien-1-amine
CID 89170110
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z,5E)-6-hydroperoxy-4-methylhepta-1,3,5-triene
CID 145263445
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
(4E,6E)-4,6-dimethylnona-1,4,6,8-tetraen-2-ol
CID 118001222
(3E,5E)-2-(dibromomethyl)-3,5-dimethylocta-1,3,5,7-tetraene
CID 167298900
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
CID 144673111
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
1-[(1R,2S)-2-[(2E)-penta-2,4-dien-2-yl]cyclohexyl]but-3-en-2-one
CID 10966003
1-(2-methylcyclopropyl)-N-[(2Z)-penta-2,4-dien-2-yl]ethanimine
CID 126690761

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine?
The IUPAC name of 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine (CID 126706666) is 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine?
The canonical SMILES for 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine is C=C/C=C(C)\C=C(/C)C1CC1N.
What is the InChIKey of 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine?
The InChIKey is JYSPVIVTBHBWTG-LDFAFZTOSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-8(2)6-9(3)10-7-11(10)12/h4-6,10-11H,1,7,12H2,2-3H3/b8-5-,9-6+.
What are the key properties of 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine?
2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 126706666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).