N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine

C13H27NO — CID 107191489

IUPACN-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine
SMILESCCNC(CCCOC)C1CCCC1C
InChIInChI=1S/C13H27NO/c1-4-14-13(9-6-10-15-3)12-8-5-7-11(12)2/h11-14H,4-10H2,1-3H3
InChIKeySXBCCTXRKKCFML-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine

N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine (PubChem CID 107191489) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine
PubChem CID107191489
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine
SMILESCCNC(CCCOC)C1CCCC1C
InChIInChI=1S/C13H27NO/c1-4-14-13(9-6-10-15-3)12-8-5-7-11(12)2/h11-14H,4-10H2,1-3H3
InChIKeySXBCCTXRKKCFML-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
CID 114855905
1-(2-ethylcyclohexyl)-4-methoxy-N-propylbutan-1-amine
CID 65092174
N-ethyl-4-methoxy-1-(3-methyl-1,4-dithian-2-yl)butan-1-amine
CID 114856760
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
5,5,5-trifluoro-1-(2-methylcyclopentyl)-N-propylpentan-1-amine
CID 107190458
N-ethyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65420843
1-(2-methylcyclopentyl)heptylhydrazine
CID 107193564
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107188012
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
N,2-diethyl-1-(2-methylcyclopentyl)butan-1-amine
CID 107190061
2-(2,5-dimethylphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107179634

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine (CID 107191489) is N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine is CCNC(CCCOC)C1CCCC1C.
What is the InChIKey of N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine?
The InChIKey is SXBCCTXRKKCFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-13(9-6-10-15-3)12-8-5-7-11(12)2/h11-14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine?
N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(2-methylcyclopentyl)butan-1-amine is sourced from PubChem (CID 107191489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).