1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol

C14H28N2O2 — CID 106674036

IUPAC1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol
SMILESCCCC1CCC(N)C(CN2CC(O)C(O)C2)C1
InChIInChI=1S/C14H28N2O2/c1-2-3-10-4-5-12(15)11(6-10)7-16-8-13(17)14(18)9-16/h10-14,17-18H,2-9,15H2,1H3
InChIKeyPXMHWYBFRJKRCF-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.57
Rot. Bonds4

About 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol

1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol (PubChem CID 106674036) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol
PubChem CID106674036
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol
SMILESCCCC1CCC(N)C(CN2CC(O)C(O)C2)C1
InChIInChI=1S/C14H28N2O2/c1-2-3-10-4-5-12(15)11(6-10)7-16-8-13(17)14(18)9-16/h10-14,17-18H,2-9,15H2,1H3
InChIKeyPXMHWYBFRJKRCF-UHFFFAOYSA-N
XLogP0.57
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol (CID 106674036) is 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol is CCCC1CCC(N)C(CN2CC(O)C(O)C2)C1.
What is the InChIKey of 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is PXMHWYBFRJKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-10-4-5-12(15)11(6-10)7-16-8-13(17)14(18)9-16/h10-14,17-18H,2-9,15H2,1H3.
What are the key properties of 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol?
1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 256.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).