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

C18H35NO2 — CID 116766778

IUPACN-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOCC1)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H35NO2/c1-4-11-19-17(14-16-7-12-21-13-8-16)18(20-3)9-5-15(2)6-10-18/h15-17,19H,4-14H2,1-3H3
InChIKeyVDBZJIHJNNAQOT-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.77
Rot. Bonds7

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

N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 116766778) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID116766778
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOCC1)C1(OC)CCC(C)CC1
InChIInChI=1S/C18H35NO2/c1-4-11-19-17(14-16-7-12-21-13-8-16)18(20-3)9-5-15(2)6-10-18/h15-17,19H,4-14H2,1-3H3
InChIKeyVDBZJIHJNNAQOT-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)ethyl]propan-1-amine
CID 116767388
[1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105277972
1-(1-methoxy-4-methylcyclohexyl)-2-methyl-N-propylprop-2-en-1-amine
CID 116766773
1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765110
2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764713
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116766787
N-[1-(1-methoxy-4-methylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 116766797
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 103036116
N-[2-cyclobutyl-1-(1-morpholin-4-ylcyclopentyl)ethyl]propan-1-amine
CID 79062246
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine (CID 116766778) is N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(CC1CCOCC1)C1(OC)CCC(C)CC1.
What is the InChIKey of N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is VDBZJIHJNNAQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-11-19-17(14-16-7-12-21-13-8-16)18(20-3)9-5-15(2)6-10-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine?
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116766778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).