(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine

C10H17NO — CID 142294662

IUPAC(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(\C=C)OC(C)C
InChIInChI=1S/C10H17NO/c1-5-9(7-11)10(6-2)12-8(3)4/h5-6,8H,1-2,7,11H2,3-4H3/b10-9-
InChIKeyPYQZMEMJRPZEOC-KTKRTIGZSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds5

About (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine

(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine (PubChem CID 142294662) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine
PubChem CID142294662
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(\C=C)OC(C)C
InChIInChI=1S/C10H17NO/c1-5-9(7-11)10(6-2)12-8(3)4/h5-6,8H,1-2,7,11H2,3-4H3/b10-9-
InChIKeyPYQZMEMJRPZEOC-KTKRTIGZSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-2-(hexa-2,4-dien-2-yloxymethyl)prop-2-en-1-amine
CID 123394914
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
(2E,4E)-2-ethenyl-4-[(Z)-hept-4-en-2-yl]oxyhexa-2,4-dien-1-amine
CID 88920479
(Z)-2-(1-ethoxyethenyl)but-2-en-1-amine
CID 89270592
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
(2-Butan-2-yloxy-5-methylsulfanylcyclohepta-1,3,5,6-tetraen-1-yl)methanamine
CID 123999309
ethane;(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975403
(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975404
(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
CID 142018033
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine (CID 142294662) is (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine is C=C/C(CN)=C(\C=C)OC(C)C.
What is the InChIKey of (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
The InChIKey is PYQZMEMJRPZEOC-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9(7-11)10(6-2)12-8(3)4/h5-6,8H,1-2,7,11H2,3-4H3/b10-9-.
What are the key properties of (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine is sourced from PubChem (CID 142294662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).