[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol

C12H24N2O — CID 112629055

IUPAC[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
SMILESNC1CCCCC1CN1CCC(CO)C1
InChIInChI=1S/C12H24N2O/c13-12-4-2-1-3-11(12)8-14-6-5-10(7-14)9-15/h10-12,15H,1-9,13H2
InChIKeyPXRIXQWSAKBMSP-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.82
Rot. Bonds3

About [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol

[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 112629055) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID112629055
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
SMILESNC1CCCCC1CN1CCC(CO)C1
InChIInChI=1S/C12H24N2O/c13-12-4-2-1-3-11(12)8-14-6-5-10(7-14)9-15/h10-12,15H,1-9,13H2
InChIKeyPXRIXQWSAKBMSP-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 112629018
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
2-[(4-ethylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 62609501
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 141194202
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
2-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112626151

Frequently Asked Questions

What is the IUPAC name of [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol (CID 112629055) is [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol is NC1CCCCC1CN1CCC(CO)C1.
What is the InChIKey of [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is PXRIXQWSAKBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-12-4-2-1-3-11(12)8-14-6-5-10(7-14)9-15/h10-12,15H,1-9,13H2.
What are the key properties of [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 212.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).