N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine

C17H31NO — CID 103274274

IUPACN-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine
SMILESCNCCC1(OC2CC3CCC2(C)C3(C)C)CCC1
InChIInChI=1S/C17H31NO/c1-15(2)13-6-9-16(15,3)14(12-13)19-17(7-5-8-17)10-11-18-4/h13-14,18H,5-12H2,1-4H3
InChIKeyARHZMEGVQKYDHS-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds5

About N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine

N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine (PubChem CID 103274274) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine
PubChem CID103274274
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine
SMILESCNCCC1(OC2CC3CCC2(C)C3(C)C)CCC1
InChIInChI=1S/C17H31NO/c1-15(2)13-6-9-16(15,3)14(12-13)19-17(7-5-8-17)10-11-18-4/h13-14,18H,5-12H2,1-4H3
InChIKeyARHZMEGVQKYDHS-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]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

(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
2-[1-(3-methoxycyclohexyl)oxycyclobutyl]-N-methylethanamine
CID 103274121
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
N-methyl-2-[1-(2-methylcyclohexyl)oxycyclobutyl]ethanamine
CID 103273091
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
N-methyl-2-[1-(oxetan-3-yloxy)cyclobutyl]ethanamine
CID 103274520
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate
CID 103557171
N'-[2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]ethane-1,2-diamine
CID 19915932
1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749629
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate
CID 13428328
1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749622

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine?
The IUPAC name of N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine (CID 103274274) is N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine is CNCCC1(OC2CC3CCC2(C)C3(C)C)CCC1.
What is the InChIKey of N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine?
The InChIKey is ARHZMEGVQKYDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2)13-6-9-16(15,3)14(12-13)19-17(7-5-8-17)10-11-18-4/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine?
N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutyl]ethanamine is sourced from PubChem (CID 103274274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).