N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine

C13H23NO — CID 115893607

IUPACN-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)C1CCOCC1
InChIInChI=1S/C13H23NO/c1-11(12-7-9-15-10-8-12)14-13-5-3-2-4-6-13/h3,5,11-14H,2,4,6-10H2,1H3
InChIKeyYIDCJZBJHMTEPY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine

N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 115893607) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID115893607
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)C1CCOCC1
InChIInChI=1S/C13H23NO/c1-11(12-7-9-15-10-8-12)14-13-5-3-2-4-6-13/h3,5,11-14H,2,4,6-10H2,1H3
InChIKeyYIDCJZBJHMTEPY-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
6-[(5Z)-2-methoxy-5-methylocta-1,5-dien-4-yl]-1,2,3,6-tetrahydropyridine
CID 89088362
11-Methyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597274
(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597378
(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597382
N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine
CID 123642066
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 150689047
(E)-N-(oxan-4-ylmethyl)oct-3-en-4-amine
CID 156288617
N-(oxan-4-ylmethyl)hex-5-en-1-amine
CID 170016283
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;4-methyloxane
CID 177146483
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;3-methyloxane
CID 177146506

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine (CID 115893607) is N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine is CC(NC1C=CCCC1)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is YIDCJZBJHMTEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(12-7-9-15-10-8-12)14-13-5-3-2-4-6-13/h3,5,11-14H,2,4,6-10H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine?
N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 115893607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).