N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine

C17H33NO2 — CID 116771903

IUPACN-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C(OC)C1CCCCC1
InChIInChI=1S/C17H33NO2/c1-3-11-18-16(14-9-12-20-13-10-14)17(19-2)15-7-5-4-6-8-15/h14-18H,3-13H2,1-2H3
InChIKeyKMPCCSVCEGCRKE-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds7

About N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine

N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 116771903) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID116771903
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C(OC)C1CCCCC1
InChIInChI=1S/C17H33NO2/c1-3-11-18-16(14-9-12-20-13-10-14)17(19-2)15-7-5-4-6-8-15/h14-18H,3-13H2,1-2H3
InChIKeyKMPCCSVCEGCRKE-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
2-methoxy-3,3-dimethyl-1-(oxan-4-yl)-N-propylbutan-1-amine
CID 116725101
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
[2-cyclohexyl-2-methoxy-1-(oxolan-3-yl)ethyl]hydrazine
CID 105278591
1-cyclohexyl-3-(furan-2-yl)-1-methoxy-N-propylpropan-2-amine
CID 116771852
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine
CID 116771895
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine (CID 116771903) is N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(C1CCOCC1)C(OC)C1CCCCC1.
What is the InChIKey of N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is KMPCCSVCEGCRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-11-18-16(14-9-12-20-13-10-14)17(19-2)15-7-5-4-6-8-15/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine?
N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116771903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).