[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol

C12H23NO — CID 68765084

IUPAC[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol
SMILESCC[C@H]1C[C@]1(C)CNC1(CO)CCC1
InChIInChI=1S/C12H23NO/c1-3-10-7-11(10,2)8-13-12(9-14)5-4-6-12/h10,13-14H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyKLSHSDJRLOQURP-WDEREUQCSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds5

About [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol

[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol (PubChem CID 68765084) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol
PubChem CID68765084
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol
SMILESCC[C@H]1C[C@]1(C)CNC1(CO)CCC1
InChIInChI=1S/C12H23NO/c1-3-10-7-11(10,2)8-13-12(9-14)5-4-6-12/h10,13-14H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyKLSHSDJRLOQURP-WDEREUQCSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[1-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
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[(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol
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[1-(2-methylpropylamino)cyclopentyl]methanol
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[3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(ethylamino)cyclohexyl]methanol
CID 105418636
[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol
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1-butoxy-3-[[1-(hydroxymethyl)cyclobutyl]amino]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol (CID 68765084) is [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol is CC[C@H]1C[C@]1(C)CNC1(CO)CCC1.
What is the InChIKey of [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol?
The InChIKey is KLSHSDJRLOQURP-WDEREUQCSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10-7-11(10,2)8-13-12(9-14)5-4-6-12/h10,13-14H,3-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol?
[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol is sourced from PubChem (CID 68765084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).