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

C15H25NO — CID 143225401

IUPAC(1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine
SMILESC/C=C\C=C(/C=C\C)COC1CCCC[C@@H]1N
InChIInChI=1S/C15H25NO/c1-3-5-9-13(8-4-2)12-17-15-11-7-6-10-14(15)16/h3-5,8-9,14-15H,6-7,10-12,16H2,1-2H3/b5-3-,8-4-,13-9+/t14-,15?/m0/s1
InChIKeyWDIOGXIMENQAPE-SCCUMFATSA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds5

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

(1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine (PubChem CID 143225401) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine
PubChem CID143225401
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine
SMILESC/C=C\C=C(/C=C\C)COC1CCCC[C@@H]1N
InChIInChI=1S/C15H25NO/c1-3-5-9-13(8-4-2)12-17-15-11-7-6-10-14(15)16/h3-5,8-9,14-15H,6-7,10-12,16H2,1-2H3/b5-3-,8-4-,13-9+/t14-,15?/m0/s1
InChIKeyWDIOGXIMENQAPE-SCCUMFATSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine with MolForge

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Related Compounds

trans-(1R,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658665
trans-(1R,2R)-2-[(3E,5Z,7Z)-3-methylnona-3,5,7-trienoxy]cyclohexan-1-amine
CID 126658667
trans-(1S,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658691
cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658692
cis-(1R,2S)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
CID 126658770
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
CID 129016069
2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene
CID 142986216
2-[2-(3-Aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
CID 142994221
3-(Cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
CID 143260495
2-[2-(1lambda3-Iodacyclohexa-1,3,5-trien-4-yl)ethoxy]cyclohexan-1-amine
CID 143380176
2-(Cyclohexa-1,5-dien-1-ylmethoxy)cyclohexan-1-amine;ethane
CID 143456439

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine?
The IUPAC name of (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine (CID 143225401) is (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine.
What is the SMILES notation for (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine?
The canonical SMILES for (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine is C/C=C\C=C(/C=C\C)COC1CCCC[C@@H]1N.
What is the InChIKey of (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine?
The InChIKey is WDIOGXIMENQAPE-SCCUMFATSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-9-13(8-4-2)12-17-15-11-7-6-10-14(15)16/h3-5,8-9,14-15H,6-7,10-12,16H2,1-2H3/b5-3-,8-4-,13-9+/t14-,15?/m0/s1.
What are the key properties of (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine?
(1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoxy]cyclohexan-1-amine is sourced from PubChem (CID 143225401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).