3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol

C17H34N2O — CID 62704351

IUPAC3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)C1CCC(N)C(CN2CCCC2CCCO)C1
InChIInChI=1S/C17H34N2O/c1-13(2)14-7-8-17(18)15(11-14)12-19-9-3-5-16(19)6-4-10-20/h13-17,20H,3-12,18H2,1-2H3
InChIKeyGUWJOHUSKGGUPR-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.62
Rot. Bonds6

About 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62704351) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62704351
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)C1CCC(N)C(CN2CCCC2CCCO)C1
InChIInChI=1S/C17H34N2O/c1-13(2)14-7-8-17(18)15(11-14)12-19-9-3-5-16(19)6-4-10-20/h13-17,20H,3-12,18H2,1-2H3
InChIKeyGUWJOHUSKGGUPR-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol with MolForge

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Related Compounds

2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102728306
2-[1-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]piperidin-2-yl]ethanol
CID 62707752
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789598
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
2-[1-[(2-amino-5-ethylcyclohexyl)methyl]piperidin-2-yl]ethanol
CID 55093548
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 55105780
6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848433
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
CID 107443410

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62704351) is 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol is CC(C)C1CCC(N)C(CN2CCCC2CCCO)C1.
What is the InChIKey of 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is GUWJOHUSKGGUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)14-7-8-17(18)15(11-14)12-19-9-3-5-16(19)6-4-10-20/h13-17,20H,3-12,18H2,1-2H3.
What are the key properties of 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62704351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).