cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol

C12H25NO — CID 162785169

IUPACcis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol
SMILESCC(C)N(C(C)C)[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C12H25NO/c1-9(2)13(10(3)4)11-7-6-8-12(11,5)14/h9-11,14H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeySLZVPTAMXKUBBP-VXGBXAGGSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds3

About cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol

cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol (PubChem CID 162785169) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol
PubChem CID162785169
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Namecis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol
SMILESCC(C)N(C(C)C)[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C12H25NO/c1-9(2)13(10(3)4)11-7-6-8-12(11,5)14/h9-11,14H,6-8H2,1-5H3/t11-,12-/m1/s1
InChIKeySLZVPTAMXKUBBP-VXGBXAGGSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol (CID 162785169) is cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol is CC(C)N(C(C)C)[C@@H]1CCC[C@@]1(C)O.
What is the InChIKey of cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol?
The InChIKey is SLZVPTAMXKUBBP-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)13(10(3)4)11-7-6-8-12(11,5)14/h9-11,14H,6-8H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol?
cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[di(propan-2-yl)amino]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 162785169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).