ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine

C14H27NO — CID 177317206

IUPACethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine
SMILESCC.CC1=CCC(NC2CCOCC2)CC1
InChIInChI=1S/C12H21NO.C2H6/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12;1-2/h2,11-13H,3-9H2,1H3;1-2H3
InChIKeyHTGFDISMMLGFMJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds2

About ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine

ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine (PubChem CID 177317206) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine.

Molecular Properties

Compound Nameethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine
PubChem CID177317206
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine
SMILESCC.CC1=CCC(NC2CCOCC2)CC1
InChIInChI=1S/C12H21NO.C2H6/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12;1-2/h2,11-13H,3-9H2,1H3;1-2H3
InChIKeyHTGFDISMMLGFMJ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-[3-(4-methylcyclohex-3-en-1-yl)oxypropyl]cyclohexan-1-amine
CID 69627006
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
CID 154694558
5-Ethyl-2-(oxan-4-ylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 164034888
N-(4-tert-butylcyclohex-3-en-1-yl)oxan-4-amine
CID 177265475
N-(3-tert-butylcyclohex-2-en-1-yl)oxan-4-amine
CID 177265635
ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
CID 177317151
N-(3-methylcyclohex-2-en-1-yl)oxan-4-amine
CID 177317433
5-Methyl-1-(oxan-4-yl)-1,2,3,6-tetrahydropyridin-1-ium
CID 3306152
N-[2-(cyclohex-1-en-1-yl)ethyl]oxan-4-amine
CID 43608459
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybutan-2-amine
CID 61866398

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine?
The IUPAC name of ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine (CID 177317206) is ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine.
What is the SMILES notation for ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine?
The canonical SMILES for ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine is CC.CC1=CCC(NC2CCOCC2)CC1.
What is the InChIKey of ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine?
The InChIKey is HTGFDISMMLGFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.C2H6/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12;1-2/h2,11-13H,3-9H2,1H3;1-2H3.
What are the key properties of ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine?
ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylcyclohex-3-en-1-yl)oxan-4-amine is sourced from PubChem (CID 177317206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).