3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol

C13H29N3O — CID 64788016

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C13H29N3O/c1-11(2)14-12(10-17)8-16-7-5-6-13(16)9-15(3)4/h11-14,17H,5-10H2,1-4H3
InChIKeyBSYNHUXQDZEZJM-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds7

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64788016) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64788016
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C13H29N3O/c1-11(2)14-12(10-17)8-16-7-5-6-13(16)9-15(3)4/h11-14,17H,5-10H2,1-4H3
InChIKeyBSYNHUXQDZEZJM-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol (CID 64788016) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)CN1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is BSYNHUXQDZEZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(2)14-12(10-17)8-16-7-5-6-13(16)9-15(3)4/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64788016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).