ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine

C13H28N2O — CID 144556599

IUPACethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine
SMILESCC.COC1CC(CN2CCC[C@H](N)C2)C1
InChIInChI=1S/C11H22N2O.C2H6/c1-14-11-5-9(6-11)7-13-4-2-3-10(12)8-13;1-2/h9-11H,2-8,12H2,1H3;1-2H3/t9?,10-,11?;/m0./s1
InChIKeySQCMSPUIGJJODO-FNLIVBFMSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds3

About ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine

ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine (PubChem CID 144556599) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Nameethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine
PubChem CID144556599
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine
SMILESCC.COC1CC(CN2CCC[C@H](N)C2)C1
InChIInChI=1S/C11H22N2O.C2H6/c1-14-11-5-9(6-11)7-13-4-2-3-10(12)8-13;1-2/h9-11H,2-8,12H2,1H3;1-2H3/t9?,10-,11?;/m0./s1
InChIKeySQCMSPUIGJJODO-FNLIVBFMSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine?
The IUPAC name of ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine (CID 144556599) is ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine.
What is the SMILES notation for ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine?
The canonical SMILES for ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine is CC.COC1CC(CN2CCC[C@H](N)C2)C1.
What is the InChIKey of ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine?
The InChIKey is SQCMSPUIGJJODO-FNLIVBFMSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-14-11-5-9(6-11)7-13-4-2-3-10(12)8-13;1-2/h9-11H,2-8,12H2,1H3;1-2H3/t9?,10-,11?;/m0./s1.
What are the key properties of ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine?
ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-1-[(3-methoxycyclobutyl)methyl]piperidin-3-amine is sourced from PubChem (CID 144556599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).