N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine

C13H27NO — CID 79616589

IUPACN-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine
SMILESCCNC(C1CCC(C)CC1)C(C)OC
InChIInChI=1S/C13H27NO/c1-5-14-13(11(3)15-4)12-8-6-10(2)7-9-12/h10-14H,5-9H2,1-4H3
InChIKeyBPYFZYOOCJJLRW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine

N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine (PubChem CID 79616589) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine
PubChem CID79616589
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine
SMILESCCNC(C1CCC(C)CC1)C(C)OC
InChIInChI=1S/C13H27NO/c1-5-14-13(11(3)15-4)12-8-6-10(2)7-9-12/h10-14H,5-9H2,1-4H3
InChIKeyBPYFZYOOCJJLRW-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methoxy-1-(4-methylcyclohexyl)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-ethyl-2-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 104988154
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084
1-cyclopropyl-2,2-diethoxy-N-ethylethanamine
CID 79494929
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417
N-ethyl-1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298525
1-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 79616561
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine (CID 79616589) is N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine is CCNC(C1CCC(C)CC1)C(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine?
The InChIKey is BPYFZYOOCJJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14-13(11(3)15-4)12-8-6-10(2)7-9-12/h10-14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine?
N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine is sourced from PubChem (CID 79616589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).