cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol

C8H17NO — CID 92784900

IUPACcis-(1S,2R)-2-(methylamino)cycloheptan-1-ol
SMILESCN[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C8H17NO/c1-9-7-5-3-2-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyLHALKOBIUICPLZ-SFYZADRCSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds1

About cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol

cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol (PubChem CID 92784900) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(methylamino)cycloheptan-1-ol
PubChem CID92784900
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namecis-(1S,2R)-2-(methylamino)cycloheptan-1-ol
SMILESCN[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C8H17NO/c1-9-7-5-3-2-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyLHALKOBIUICPLZ-SFYZADRCSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Piperidin-2-yl)propan-1-ol
CID 10314
1-[(2-Hydroxyethyl)amino]-2-dodecanol
CID 10988562
1-(Cyclohexylamino)hexadecan-2-ol
CID 10337278
1-(Propan-2-ylamino)hexadecan-2-ol
CID 20261248
(2S,3S,5S)-2-(methylamino)octadecane-3,5-diol
CID 53248834
(3S,6S)-6-Propyl-3-piperidinol
CID 120641
Conhydrine
CID 11744748
2-(Butylamino)hexadecan-1-ol
CID 44420150
2-(Ethylamino)octadecan-1-ol
CID 56835111
(2S,3R,5S)-2-(methylamino)octadecane-3,5-diol
CID 70690151
2-(Ethylamino)hexadecan-1-ol
CID 10016808
2-(Hexylamino)hexadecan-1-ol
CID 16066835

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol (CID 92784900) is cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol is CN[C@@H]1CCCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol?
The InChIKey is LHALKOBIUICPLZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-9-7-5-3-2-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol?
cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(methylamino)cycloheptan-1-ol is sourced from PubChem (CID 92784900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).