N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C19H35NO — CID 105010023

IUPACN-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(C1CCOC2(CCC2)C1)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H35NO/c1-15(2)13-18(8-4-5-9-18)17(20-3)16-7-12-21-19(14-16)10-6-11-19/h15-17,20H,4-14H2,1-3H3
InChIKeyVSXPIDGLMTWKSC-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.53
Rot. Bonds5

About N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 105010023) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID105010023
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC NameN-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(C1CCOC2(CCC2)C1)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H35NO/c1-15(2)13-18(8-4-5-9-18)17(20-3)16-7-12-21-19(14-16)10-6-11-19/h15-17,20H,4-14H2,1-3H3
InChIKeyVSXPIDGLMTWKSC-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105012176
N-methyl-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-2-amine
CID 79923393
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016820
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
1-(4-ethylcyclohexyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912030
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-propylpentan-1-amine
CID 105016151
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propane-1,2-diamine
CID 79912220
1-(3-ethylcyclohexyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 104992281

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 105010023) is N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CNC(C1CCOC2(CCC2)C1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is VSXPIDGLMTWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-15(2)13-18(8-4-5-9-18)17(20-3)16-7-12-21-19(14-16)10-6-11-19/h15-17,20H,4-14H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 293.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 105010023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).