[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine

C17H33NO2 — CID 65158667

IUPAC[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO2/c1-14(2)15-7-9-17(13-18,10-8-15)20-12-4-6-16-5-3-11-19-16/h14-16H,3-13,18H2,1-2H3
InChIKeySWOCMHYBCHCZLB-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.51
Rot. Bonds7

About [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine

[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65158667) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65158667
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO2/c1-14(2)15-7-9-17(13-18,10-8-15)20-12-4-6-16-5-3-11-19-16/h14-16H,3-13,18H2,1-2H3
InChIKeySWOCMHYBCHCZLB-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498
[1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158471
[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158713
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 112587831
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
[3-methyl-1-(oxolan-2-ylmethoxy)cyclopentyl]methanamine
CID 65051674
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
CID 79067154

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine (CID 65158667) is [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(OCCCC2CCCO2)CC1.
What is the InChIKey of [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is SWOCMHYBCHCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(2)15-7-9-17(13-18,10-8-15)20-12-4-6-16-5-3-11-19-16/h14-16H,3-13,18H2,1-2H3.
What are the key properties of [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine?
[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 283.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65158667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).