4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine

C15H29NO2 — CID 160735997

IUPAC4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
SMILESCC1CCC(OC(C)OC2CCC(N)CC2)CC1
InChIInChI=1S/C15H29NO2/c1-11-3-7-14(8-4-11)17-12(2)18-15-9-5-13(16)6-10-15/h11-15H,3-10,16H2,1-2H3
InChIKeyXRAPWWUXPXYZJA-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.21
Rot. Bonds4

About 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine

4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine (PubChem CID 160735997) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
PubChem CID160735997
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
SMILESCC1CCC(OC(C)OC2CCC(N)CC2)CC1
InChIInChI=1S/C15H29NO2/c1-11-3-7-14(8-4-11)17-12(2)18-15-9-5-13(16)6-10-15/h11-15H,3-10,16H2,1-2H3
InChIKeyXRAPWWUXPXYZJA-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylcyclohexyl)oxycyclohexan-1-amine
CID 62806376
[4-[1-[4-(Aminomethyl)cyclohexyl]oxyethoxy]cyclohexyl]methanamine
CID 137411614
4-(4-Propylcyclohexyl)oxycyclohexan-1-amine
CID 141324130
4-[1-(4-Aminocyclohexyl)oxyethoxy]cyclohexan-1-amine
CID 146893868
Ethane;4-(4-methylcyclohexyl)oxycyclohexan-1-amine
CID 170734557
4-(4-Ethylcyclohexyl)oxycyclohexan-1-amine
CID 64747765
4-[2-(4-Methylcyclohexyl)oxypropan-2-yloxy]cyclohexan-1-amine
CID 160735998
4-[(4-Methylcyclohexyl)oxymethoxy]cyclohexan-1-amine
CID 161018480
[4-[1-(4-Ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine
CID 161018481

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine?
The IUPAC name of 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine (CID 160735997) is 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine is CC1CCC(OC(C)OC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine?
The InChIKey is XRAPWWUXPXYZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11-3-7-14(8-4-11)17-12(2)18-15-9-5-13(16)6-10-15/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine?
4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine is sourced from PubChem (CID 160735997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).