N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

C14H23NO — CID 115763776

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESC1=CCC(CNCCC2=CCOCC2)CC1
InChIInChI=1S/C14H23NO/c1-2-4-14(5-3-1)12-15-9-6-13-7-10-16-11-8-13/h1-2,7,14-15H,3-6,8-12H2
InChIKeyJWXRFZQSIRPOEV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (PubChem CID 115763776) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
PubChem CID115763776
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
SMILESC1=CCC(CNCCC2=CCOCC2)CC1
InChIInChI=1S/C14H23NO/c1-2-4-14(5-3-1)12-15-9-6-13-7-10-16-11-8-13/h1-2,7,14-15H,3-6,8-12H2
InChIKeyJWXRFZQSIRPOEV-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
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

(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine
CID 134958683
spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]
CID 66728485
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
CID 143277788
(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine
CID 163429853
4-(Cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine
CID 166113715
3-(3,6-dihydro-2H-pyran-4-yl)azetidine
CID 166469368
1-cyclohex-3-en-1-yl-N-(oxan-3-ylmethyl)methanamine
CID 61020714
N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
CID 62455376
5-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine
CID 62455377
N-(cyclohex-3-en-1-ylmethyl)-2-(oxolan-3-yl)ethanamine
CID 104465894
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
4-(Cyclohex-2-en-1-yloxymethyl)piperidine
CID 114620312

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine (CID 115763776) is N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is C1=CCC(CNCCC2=CCOCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
The InChIKey is JWXRFZQSIRPOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-4-14(5-3-1)12-15-9-6-13-7-10-16-11-8-13/h1-2,7,14-15H,3-6,8-12H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.67, 5 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)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine is sourced from PubChem (CID 115763776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).