[(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol

C15H27NO2 — CID 99821469

IUPAC[(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCCC1(CC)[C@@H](OC)C[C@H]1N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H27NO2/c1-4-15(5-2)13(9-14(15)18-3)16-12-7-6-11(8-12)10-17/h6-7,11-14,16-17H,4-5,8-10H2,1-3H3/t11-,12+,13+,14-/m0/s1
InChIKeyRXSQLXUHNKDBJU-DGAVXFQQSA-N
MW253.39 g/mol
LogP2.11
Rot. Bonds6

About [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 99821469) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID99821469
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol
SMILESCCC1(CC)[C@@H](OC)C[C@H]1N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H27NO2/c1-4-15(5-2)13(9-14(15)18-3)16-12-7-6-11(8-12)10-17/h6-7,11-14,16-17H,4-5,8-10H2,1-3H3/t11-,12+,13+,14-/m0/s1
InChIKeyRXSQLXUHNKDBJU-DGAVXFQQSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol (CID 99821469) is [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol is CCC1(CC)[C@@H](OC)C[C@H]1N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is RXSQLXUHNKDBJU-DGAVXFQQSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-15(5-2)13(9-14(15)18-3)16-12-7-6-11(8-12)10-17/h6-7,11-14,16-17H,4-5,8-10H2,1-3H3/t11-,12+,13+,14-/m0/s1.
What are the key properties of [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 253.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 99821469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).