1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine

C18H38N2O — CID 103035868

IUPAC1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H38N2O/c1-7-15-19-16(11-14-17(2,3)21-6)18(20(4)5)12-9-8-10-13-18/h16,19H,7-15H2,1-6H3
InChIKeyCIXAUZBOZFNYKC-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.82
Rot. Bonds9

About 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine

1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 103035868) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID103035868
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H38N2O/c1-7-15-19-16(11-14-17(2,3)21-6)18(20(4)5)12-9-8-10-13-18/h16,19H,7-15H2,1-6H3
InChIKeyCIXAUZBOZFNYKC-UHFFFAOYSA-N
XLogP3.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-7-methoxy-3,7-dimethyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]octan-1-amine
CID 39754147
7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
CID 5130713
[(2S,3S)-7-methoxy-3,7-dimethyloctan-2-yl]-(2-piperazine-1,4-diium-1-ylethyl)azanium
CID 1911986
(2R,3S)-7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
CID 1911987
[(2S,3R)-7-methoxy-3,7-dimethyloctan-2-yl]-(2-piperazine-1,4-diium-1-ylethyl)azanium
CID 1911988
(2R,3R)-7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
CID 1911989
[(2R,3S)-7-methoxy-3,7-dimethyloctan-2-yl]-(2-piperazine-1,4-diium-1-ylethyl)azanium
CID 1911990
(2S,3S)-7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
CID 1911991
[(2R,3R)-7-methoxy-3,7-dimethyloctan-2-yl]-(2-piperazine-1,4-diium-1-ylethyl)azanium
CID 1911992
(2S,3R)-7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
CID 1911993
N-[2-(4-isopropyl-1-piperazinyl)ethyl]-7-methoxy-3,7-dimethyl-1-octanamine
CID 45929718
N,4-dimethyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 79044872

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine (CID 103035868) is 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine is CCCNC(CCC(C)(C)OC)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is CIXAUZBOZFNYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-7-15-19-16(11-14-17(2,3)21-6)18(20(4)5)12-9-8-10-13-18/h16,19H,7-15H2,1-6H3.
What are the key properties of 1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine?
1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.82, 9 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-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103035868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).