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

C15H30N2O2 — CID 106674063

IUPAC1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol
SMILESCC(C)(C)C1CCC(N)C(CN2CC(O)C(O)C2)C1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)11-4-5-12(16)10(6-11)7-17-8-13(18)14(19)9-17/h10-14,18-19H,4-9,16H2,1-3H3
InChIKeyBHILUMSOGPYYFA-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.81
Rot. Bonds2

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

1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol (PubChem CID 106674063) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol
PubChem CID106674063
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol
SMILESCC(C)(C)C1CCC(N)C(CN2CC(O)C(O)C2)C1
InChIInChI=1S/C15H30N2O2/c1-15(2,3)11-4-5-12(16)10(6-11)7-17-8-13(18)14(19)9-17/h10-14,18-19H,4-9,16H2,1-3H3
InChIKeyBHILUMSOGPYYFA-UHFFFAOYSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943220
1-[(2-amino-5-tert-butylcyclohexyl)methyl]piperidin-4-ol
CID 62614983
4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62615514
4-tert-butyl-2-(1,3-dihydroisoindol-2-ylmethyl)cyclohexan-1-amine
CID 62611169
1-[(2-amino-5-propylcyclohexyl)methyl]pyrrolidine-3,4-diol
CID 106674036
4-tert-butyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62974601
4-tert-butyl-2-[(2,2-dimethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62616805
4-tert-butyl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-ol
CID 62609534
4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol
CID 102936492
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096
4-tert-butyl-2-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63401399
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol (CID 106674063) is 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol is CC(C)(C)C1CCC(N)C(CN2CC(O)C(O)C2)C1.
What is the InChIKey of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is BHILUMSOGPYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)11-4-5-12(16)10(6-11)7-17-8-13(18)14(19)9-17/h10-14,18-19H,4-9,16H2,1-3H3.
What are the key properties of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol?
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 270.42 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).