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

C15H30N2O — CID 62941504

IUPAC1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol
SMILESCC(C)(C)C1CCC(CN)C(N2CCC(O)C2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)12-5-4-11(9-16)14(8-12)17-7-6-13(18)10-17/h11-14,18H,4-10,16H2,1-3H3
InChIKeyUQUNHEHBRJBGJJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.84
Rot. Bonds2

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

1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol (PubChem CID 62941504) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol
PubChem CID62941504
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol
SMILESCC(C)(C)C1CCC(CN)C(N2CCC(O)C2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)12-5-4-11(9-16)14(8-12)17-7-6-13(18)10-17/h11-14,18H,4-10,16H2,1-3H3
InChIKeyUQUNHEHBRJBGJJ-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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Related Compounds

1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
CID 114678018
(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293404
[4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-6-methylmorpholin-2-yl]methanol
CID 102932236
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-one
CID 43329379
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-1,4-diazepan-5-one
CID 63003557
4-tert-butyl-2-(3-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 61434648
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943220
[4-tert-butyl-2-(2,3-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63404551
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 63403927
[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
CID 81005227
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]azepane-2,7-dione
CID 43519473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol (CID 62941504) is 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol is CC(C)(C)C1CCC(CN)C(N2CCC(O)C2)C1.
What is the InChIKey of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol?
The InChIKey is UQUNHEHBRJBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)12-5-4-11(9-16)14(8-12)17-7-6-13(18)10-17/h11-14,18H,4-10,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol?
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]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-(aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).