3-cyclohex-2-en-1-yloxypropan-1-amine

C9H17NO — CID 58684071

IUPAC3-cyclohex-2-en-1-yloxypropan-1-amine
SMILESNCCCOC1C=CCCC1
InChIInChI=1S/C9H17NO/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8,10H2
InChIKeyCUCNYAALSBEXHT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds4

About 3-cyclohex-2-en-1-yloxypropan-1-amine

3-cyclohex-2-en-1-yloxypropan-1-amine (PubChem CID 58684071) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yloxypropan-1-amine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yloxypropan-1-amine
PubChem CID58684071
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-cyclohex-2-en-1-yloxypropan-1-amine
SMILESNCCCOC1C=CCCC1
InChIInChI=1S/C9H17NO/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8,10H2
InChIKeyCUCNYAALSBEXHT-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohex-2-en-1-yloxy-N-methylethanamine
CID 58684193
2-Cyclohex-2-en-1-yloxyethanamine
CID 58685132
(Z)-4-methoxyhept-2-en-1-amine
CID 89073845
5-Cyclohexyloxycyclohex-3-en-1-amine
CID 89073915
3-Cyclohex-2-en-1-yloxycyclobutan-1-amine
CID 114620337
3-(1,3,4,5,5,6,6-Heptadeuterio-4-methoxycyclohex-2-en-1-yl)oxypropan-1-amine
CID 140151446
3-Cyclohex-2-en-1-yloxypentan-1-amine
CID 142274343
Ethane;methanamine;7-oxabicyclo[2.2.1]hept-2-ene
CID 155702888
ethane;(Z)-3-methoxydec-4-en-1-amine
CID 172378130
3-[1-(Cyclohex-1-en-1-yl)ethoxy]propan-1-amine
CID 71373521
(E)-4-(oxolan-2-yl)but-3-en-1-amine
CID 82838045
(E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
CID 82839951

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yloxypropan-1-amine?
The IUPAC name of 3-cyclohex-2-en-1-yloxypropan-1-amine (CID 58684071) is 3-cyclohex-2-en-1-yloxypropan-1-amine.
What is the SMILES notation for 3-cyclohex-2-en-1-yloxypropan-1-amine?
The canonical SMILES for 3-cyclohex-2-en-1-yloxypropan-1-amine is NCCCOC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yloxypropan-1-amine?
The InChIKey is CUCNYAALSBEXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-7-4-8-11-9-5-2-1-3-6-9/h2,5,9H,1,3-4,6-8,10H2.
What are the key properties of 3-cyclohex-2-en-1-yloxypropan-1-amine?
3-cyclohex-2-en-1-yloxypropan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yloxypropan-1-amine is sourced from PubChem (CID 58684071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).