3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol

C8H18N2O — CID 19382169

IUPAC3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol
SMILESCC(C)NCC1(O)CCNC1
InChIInChI=1S/C8H18N2O/c1-7(2)10-6-8(11)3-4-9-5-8/h7,9-11H,3-6H2,1-2H3
InChIKeyUIRSVBAOSXZBHJ-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.29
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol

3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol (PubChem CID 19382169) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol
PubChem CID19382169
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol
SMILESCC(C)NCC1(O)CCNC1
InChIInChI=1S/C8H18N2O/c1-7(2)10-6-8(11)3-4-9-5-8/h7,9-11H,3-6H2,1-2H3
InChIKeyUIRSVBAOSXZBHJ-UHFFFAOYSA-N
XLogP-0.29
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol (CID 19382169) is 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol is CC(C)NCC1(O)CCNC1.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
The InChIKey is UIRSVBAOSXZBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10-6-8(11)3-4-9-5-8/h7,9-11H,3-6H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol?
3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol has a molecular weight of 158.25 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 19382169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).