1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol

C11H22N2O — CID 103355608

IUPAC1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2(CCN)CC2)C1
InChIInChI=1S/C11H22N2O/c1-10(14)5-7-13(8-10)9-11(2-3-11)4-6-12/h14H,2-9,12H2,1H3
InChIKeyBTZBNUIIKRGQCK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.57
Rot. Bonds4

About 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol

1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103355608) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol
PubChem CID103355608
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC2(CCN)CC2)C1
InChIInChI=1S/C11H22N2O/c1-10(14)5-7-13(8-10)9-11(2-3-11)4-6-12/h14H,2-9,12H2,1H3
InChIKeyBTZBNUIIKRGQCK-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Tert-butylpyrrolidin-3-ol hydrochloride
CID 66662240
3-Tert-butylpyrrolidin-3-ol
CID 55296408
3-(2,2-Dimethylpropyl)pyrrolidin-3-ol
CID 59352868
4-[(1-Methylpyrrolidin-1-ium-1-yl)methyl]piperidin-4-ol
CID 68586806
3-[2-(Ethylamino)ethyl]pyrrolidin-3-ol
CID 139771415
3-[(2,5-Dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol
CID 145044539
Ethane;7-methyl-5-azaspiro[2.4]heptan-7-ol
CID 166166173
3-[1-(Ethylamino)ethyl]-1-methylpyrrolidin-3-ol
CID 64124728
1-Cyclopropyl-3-[1-(ethylamino)ethyl]pyrrolidin-3-ol
CID 64124930
1-[[1-(2-Aminoethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 65479549
3-(1-Aminopropan-2-yl)-1-cyclopropylpyrrolidin-3-ol
CID 79135487
3-(1-Aminopropan-2-YL)-1-methylpyrrolidin-3-OL
CID 79135575

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol (CID 103355608) is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC2(CCN)CC2)C1.
What is the InChIKey of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is BTZBNUIIKRGQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(14)5-7-13(8-10)9-11(2-3-11)4-6-12/h14H,2-9,12H2,1H3.
What are the key properties of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol?
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).