N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine

C16H31NO — CID 104989358

IUPACN-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1CCC(C)O1
InChIInChI=1S/C16H31NO/c1-5-17-16(15-9-7-13(4)18-15)14-8-6-11(2)12(3)10-14/h11-17H,5-10H2,1-4H3
InChIKeyXUWUHYWXIRCOKI-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.60
Rot. Bonds4

About N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine

N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 104989358) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID104989358
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1CCC(C)O1
InChIInChI=1S/C16H31NO/c1-5-17-16(15-9-7-13(4)18-15)14-8-6-11(2)12(3)10-14/h11-17H,5-10H2,1-4H3
InChIKeyXUWUHYWXIRCOKI-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine 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-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328191
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 65352331
N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 79963050
N-[(3-methylcyclohexyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 104992048
N-[(5-methyloxolan-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105016221
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
2-(ethylamino)-1-(5-methyloxolan-2-yl)propan-1-ol
CID 82837452
N-[cycloheptyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 65399657
N-[cyclohexyl-(3,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 64738638
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
N-ethyl-3-methyl-1-(5-methyloxolan-2-yl)pentan-1-amine
CID 115846266

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine (CID 104989358) is N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine is CCNC(C1CCC(C)C(C)C1)C1CCC(C)O1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is XUWUHYWXIRCOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-17-16(15-9-7-13(4)18-15)14-8-6-11(2)12(3)10-14/h11-17H,5-10H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine?
N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 104989358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).