(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine

C13H21NO — CID 143585699

IUPAC(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine
SMILESC=C/C=C(\C=C/C)COC1CCC[C@@H]1N
InChIInChI=1S/C13H21NO/c1-3-6-11(7-4-2)10-15-13-9-5-8-12(13)14/h3-4,6-7,12-13H,1,5,8-10,14H2,2H3/b7-4-,11-6+/t12-,13?/m0/s1
InChIKeyXHVZWNMNJUKBPP-WSWJHGSLSA-N
MW207.32 g/mol
LogP2.57
Rot. Bonds5

About (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine

(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine (PubChem CID 143585699) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine
PubChem CID143585699
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine
SMILESC=C/C=C(\C=C/C)COC1CCC[C@@H]1N
InChIInChI=1S/C13H21NO/c1-3-6-11(7-4-2)10-15-13-9-5-8-12(13)14/h3-4,6-7,12-13H,1,5,8-10,14H2,2H3/b7-4-,11-6+/t12-,13?/m0/s1
InChIKeyXHVZWNMNJUKBPP-WSWJHGSLSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4Z)-4-ethylidene-5-methylideneoxolan-2-yl]methanamine
CID 130191118
2-[2-(3-Aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
CID 142994221
2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine
CID 143306531
ethane;3-ethenyl-4-prop-2-enoxy-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-amine
CID 143411990
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxolan-3-amine
CID 143522212
(1S)-1-[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]ethanamine
CID 153680355
(1S)-1-[(1R)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]ethanamine
CID 164133826
2-(3-Methylbut-2-enoxy)cyclopentan-1-amine
CID 104284928
2-[(E)-but-2-enoxy]cyclopentan-1-amine
CID 104284929
2-(2-Methylidenebutoxy)cyclopentan-1-amine
CID 104285091
2-But-3-en-2-yloxycyclopentan-1-amine
CID 104285157
2-Cyclohex-2-en-1-yloxycyclopentan-1-amine
CID 114620344

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine?
The IUPAC name of (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine (CID 143585699) is (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine.
What is the SMILES notation for (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine?
The canonical SMILES for (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine is C=C/C=C(\C=C/C)COC1CCC[C@@H]1N.
What is the InChIKey of (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine?
The InChIKey is XHVZWNMNJUKBPP-WSWJHGSLSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-11(7-4-2)10-15-13-9-5-8-12(13)14/h3-4,6-7,12-13H,1,5,8-10,14H2,2H3/b7-4-,11-6+/t12-,13?/m0/s1.
What are the key properties of (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine?
(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine is sourced from PubChem (CID 143585699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).