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

C14H28N2O — CID 62943988

IUPAC1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
SMILESCC(C)C1CCC(N)C(CN2CCC(O)C2)C1
InChIInChI=1S/C14H28N2O/c1-10(2)11-3-4-14(15)12(7-11)8-16-6-5-13(17)9-16/h10-14,17H,3-9,15H2,1-2H3
InChIKeySGGAEXDCSJBUFY-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.45
Rot. Bonds3

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

1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol (PubChem CID 62943988) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
PubChem CID62943988
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
SMILESCC(C)C1CCC(N)C(CN2CCC(O)C2)C1
InChIInChI=1S/C14H28N2O/c1-10(2)11-3-4-14(15)12(7-11)8-16-6-5-13(17)9-16/h10-14,17H,3-9,15H2,1-2H3
InChIKeySGGAEXDCSJBUFY-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 55105780
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973
1-[(2-amino-5-tert-butylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943220
[4-[(2-amino-5-propan-2-ylcyclohexyl)methyl]morpholin-2-yl]methanol
CID 81213154
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708869
2-[(3-methylpyrrolidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703990
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63159689
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789598
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
1-[(2-amino-5-tert-butylcyclohexyl)methyl]piperidin-4-ol
CID 62614983
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol (CID 62943988) is 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol is CC(C)C1CCC(N)C(CN2CCC(O)C2)C1.
What is the InChIKey of 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol?
The InChIKey is SGGAEXDCSJBUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)11-3-4-14(15)12(7-11)8-16-6-5-13(17)9-16/h10-14,17H,3-9,15H2,1-2H3.
What are the key properties of 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol?
1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol has a molecular weight of 240.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).