1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine

C17H36N2O — CID 103035876

IUPAC1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(CCC(C)(C)OC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2O/c1-16(2,20-6)14-11-15(18-3)17(19(4)5)12-9-7-8-10-13-17/h15,18H,7-14H2,1-6H3
InChIKeySGXXEMFBBONFBS-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.43
Rot. Bonds7

About 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine

1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 103035876) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID103035876
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(CCC(C)(C)OC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2O/c1-16(2,20-6)14-11-15(18-3)17(19(4)5)12-9-7-8-10-13-17/h15,18H,7-14H2,1-6H3
InChIKeySGXXEMFBBONFBS-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 103035868
4-methoxy-N,4-dimethyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 103032388
1-(1-ethylcyclopentyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031615
4-methoxy-N,4-dimethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pentan-1-amine
CID 103035859
1-(1-hydrazinyl-4-methoxy-4-methylpentyl)-N,N,3-trimethylcyclohexan-1-amine
CID 103026906
N,N-dimethyl-1-[4-methyl-1-(methylamino)pentyl]cyclopentan-1-amine
CID 79070834
[4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentyl]hydrazine
CID 103026538
N,N-dimethyl-1-[1-(methylamino)pent-4-ynyl]cyclopentan-1-amine
CID 79070298
N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine
CID 79066675
1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 79067056
1-[2-ethoxy-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79570777
[4-methoxy-4-methyl-1-(1-methylcyclopropyl)pentyl]hydrazine
CID 103026963

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine (CID 103035876) is 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine is CNC(CCC(C)(C)OC)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is SGXXEMFBBONFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-16(2,20-6)14-11-15(18-3)17(19(4)5)12-9-7-8-10-13-17/h15,18H,7-14H2,1-6H3.
What are the key properties of 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine?
1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-4-methyl-1-(methylamino)pentyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 103035876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).