cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol

C12H25NO — CID 124709342

IUPACcis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
SMILESCC[C@H](C)[C@H](C)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-4-9(2)10(3)13-11-7-5-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t9-,10-,11-,12+/m0/s1
InChIKeyJCLVWJRVXOQGIT-FIQHERPVSA-N
MW199.34 g/mol
LogP2.31
Rot. Bonds4

About cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol

cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol (PubChem CID 124709342) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
PubChem CID124709342
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Namecis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
SMILESCC[C@H](C)[C@H](C)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-4-9(2)10(3)13-11-7-5-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t9-,10-,11-,12+/m0/s1
InChIKeyJCLVWJRVXOQGIT-FIQHERPVSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol (CID 124709342) is cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol is CC[C@H](C)[C@H](C)N[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol?
The InChIKey is JCLVWJRVXOQGIT-FIQHERPVSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-9(2)10(3)13-11-7-5-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol?
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 124709342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).