1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol

C15H30N2O — CID 62943220

IUPAC1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
SMILESCC(C)(C)C1CCC(N)C(CN2CCC(O)C2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)12-4-5-14(16)11(8-12)9-17-7-6-13(18)10-17/h11-14,18H,4-10,16H2,1-3H3
InChIKeyZNXZINRAMBVMAO-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.84
Rot. Bonds2

About 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol

1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol (PubChem CID 62943220) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
PubChem CID62943220
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
SMILESCC(C)(C)C1CCC(N)C(CN2CCC(O)C2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)12-4-5-14(16)11(8-12)9-17-7-6-13(18)10-17/h11-14,18H,4-10,16H2,1-3H3
InChIKeyZNXZINRAMBVMAO-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol (CID 62943220) is 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol is CC(C)(C)C1CCC(N)C(CN2CCC(O)C2)C1.
What is the InChIKey of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol?
The InChIKey is ZNXZINRAMBVMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)12-4-5-14(16)11(8-12)9-17-7-6-13(18)10-17/h11-14,18H,4-10,16H2,1-3H3.
What are the key properties of 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol?
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol has a molecular weight of 254.42 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).