N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine

C18H37NO — CID 103031421

IUPACN-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H37NO/c1-7-19-16(10-13-17(4,5)20-6)18(14-15(2)3)11-8-9-12-18/h15-16,19H,7-14H2,1-6H3
InChIKeyRMVSWXFCRMTGBR-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds9

About N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine

N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine (PubChem CID 103031421) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine
PubChem CID103031421
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(CC(C)C)CCCC1
InChIInChI=1S/C18H37NO/c1-7-19-16(10-13-17(4,5)20-6)18(14-15(2)3)11-8-9-12-18/h15-16,19H,7-14H2,1-6H3
InChIKeyRMVSWXFCRMTGBR-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine (CID 103031421) is N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine is CCNC(CCC(C)(C)OC)C1(CC(C)C)CCCC1.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine?
The InChIKey is RMVSWXFCRMTGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-19-16(10-13-17(4,5)20-6)18(14-15(2)3)11-8-9-12-18/h15-16,19H,7-14H2,1-6H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine?
N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]pentan-1-amine is sourced from PubChem (CID 103031421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).