(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine

C10H19N — CID 143033225

IUPAC(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
SMILESC/C=C\C.C=C/C=C/CCN
InChIInChI=1S/C6H11N.C4H8/c1-2-3-4-5-6-7;1-3-4-2/h2-4H,1,5-7H2;3-4H,1-2H3/b4-3+;4-3-
InChIKeyFGGKQFKIGXACIT-YXTPZADFSA-N
MW153.27 g/mol
LogP2.66
Rot. Bonds3

About (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine

(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine (PubChem CID 143033225) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
PubChem CID143033225
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
SMILESC/C=C\C.C=C/C=C/CCN
InChIInChI=1S/C6H11N.C4H8/c1-2-3-4-5-6-7;1-3-4-2/h2-4H,1,5-7H2;3-4H,1-2H3/b4-3+;4-3-
InChIKeyFGGKQFKIGXACIT-YXTPZADFSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-6-fluorohexa-1,3-diene
CID 147850000
(3Z)-hepta-1,3-diene
CID 6427773
tetradeca-1,3,9,12-tetraene
CID 174407710
(3E,5E)-octa-3,5-dien-1-amine
CID 55254846
octa-1,5,7-trien-1-amine
CID 76706648
(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753
ethane;methane;(3Z,6Z)-octa-1,3,6-triene
CID 144530940
2-methylhepta-4,6-dien-2-ol
CID 54228855
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
6-methylhepta-3,5-dien-1-amine
CID 79592244
(Z)-but-2-ene;ethane;(3Z)-penta-1,3-diene;propane
CID 142056064
(3E)-penta-1,3-diene
CID 71777643

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine?
The IUPAC name of (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine (CID 143033225) is (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine.
What is the SMILES notation for (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine?
The canonical SMILES for (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine is C/C=C\C.C=C/C=C/CCN.
What is the InChIKey of (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine?
The InChIKey is FGGKQFKIGXACIT-YXTPZADFSA-N. The full InChI is InChI=1S/C6H11N.C4H8/c1-2-3-4-5-6-7;1-3-4-2/h2-4H,1,5-7H2;3-4H,1-2H3/b4-3+;4-3-.
What are the key properties of (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine?
(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine is sourced from PubChem (CID 143033225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).