(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine

C15H31NO2 — CID 97320972

IUPAC(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine
SMILESCCOCCC1(CN[C@@H](C)CCOC)CCCC1
InChIInChI=1S/C15H31NO2/c1-4-18-12-10-15(8-5-6-9-15)13-16-14(2)7-11-17-3/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyFAFLFOJRSGOLNG-AWEZNQCLSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds10

About (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine

(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine (PubChem CID 97320972) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine
PubChem CID97320972
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine
SMILESCCOCCC1(CN[C@@H](C)CCOC)CCCC1
InChIInChI=1S/C15H31NO2/c1-4-18-12-10-15(8-5-6-9-15)13-16-14(2)7-11-17-3/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyFAFLFOJRSGOLNG-AWEZNQCLSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine?
The IUPAC name of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine (CID 97320972) is (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine?
The canonical SMILES for (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine is CCOCCC1(CN[C@@H](C)CCOC)CCCC1.
What is the InChIKey of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine?
The InChIKey is FAFLFOJRSGOLNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-18-12-10-15(8-5-6-9-15)13-16-14(2)7-11-17-3/h14,16H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine?
(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 97320972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).