N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine

C14H25NO — CID 115713361

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCC1CC=CCC1)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-12(14-7-9-16-10-8-14)15-11-13-5-3-2-4-6-13/h2-3,12-15H,4-11H2,1H3
InChIKeyPEIJTLDLDXXSJL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine (PubChem CID 115713361) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine
PubChem CID115713361
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCC1CC=CCC1)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-12(14-7-9-16-10-8-14)15-11-13-5-3-2-4-6-13/h2-3,12-15H,4-11H2,1H3
InChIKeyPEIJTLDLDXXSJL-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine 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

2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
3-ethyl-2-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972892
N-[(3-methoxycyclohex-3-en-1-yl)methyl]cyclohexanamine
CID 118242356
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
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
1-[Cyclohex-3-en-1-yl(methoxy)methyl]piperazine
CID 135135364
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
CID 143093704
4-(Cyclohexa-1,5-dien-1-ylmethyl)-4-(methoxymethyl)piperidine
CID 145601329
1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 150689047

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine (CID 115713361) is N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine is CC(NCC1CC=CCC1)C1CCOCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is PEIJTLDLDXXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(14-7-9-16-10-8-14)15-11-13-5-3-2-4-6-13/h2-3,12-15H,4-11H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115713361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).