N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine

C15H29NO — CID 62383858

IUPACN-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OC2CCC2)C1
InChIInChI=1S/C15H29NO/c1-12(2)16-11-15(17-14-7-4-8-14)9-5-6-13(3)10-15/h12-14,16H,4-11H2,1-3H3
InChIKeyAHKVEFOUOBNUEV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine

N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine (PubChem CID 62383858) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
PubChem CID62383858
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OC2CCC2)C1
InChIInChI=1S/C15H29NO/c1-12(2)16-11-15(17-14-7-4-8-14)9-5-6-13(3)10-15/h12-14,16H,4-11H2,1-3H3
InChIKeyAHKVEFOUOBNUEV-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
1-(iodomethyl)-3-methyl-1-(3-methylcyclohexyl)oxycyclohexane
CID 114773602
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
4-[1-(iodomethyl)-3-methylcyclohexyl]oxyoxane
CID 165489538
1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
CID 63470076
N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
CID 64744957
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine (CID 62383858) is N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine is CC1CCCC(CNC(C)C)(OC2CCC2)C1.
What is the InChIKey of N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine?
The InChIKey is AHKVEFOUOBNUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)16-11-15(17-14-7-4-8-14)9-5-6-13(3)10-15/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine?
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 62383858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).