(4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol

C14H27NO — CID 170196110

IUPAC(4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol
SMILESCC(C)C1CCC(C(O)N2CCCC2)CC1
InChIInChI=1S/C14H27NO/c1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyZFNUPVSLDNRAKL-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.86
Rot. Bonds3

About (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol

(4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol (PubChem CID 170196110) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol
PubChem CID170196110
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol
SMILESCC(C)C1CCC(C(O)N2CCCC2)CC1
InChIInChI=1S/C14H27NO/c1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyZFNUPVSLDNRAKL-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol?
The IUPAC name of (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol (CID 170196110) is (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol is CC(C)C1CCC(C(O)N2CCCC2)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol?
The InChIKey is ZFNUPVSLDNRAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol?
(4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol has a molecular weight of 225.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol is sourced from PubChem (CID 170196110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).