2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol

C9H20N2O — CID 115359182

IUPAC2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol
SMILESCC(C)(CO)CNC1CCNC1
InChIInChI=1S/C9H20N2O/c1-9(2,7-12)6-11-8-3-4-10-5-8/h8,10-12H,3-7H2,1-2H3
InChIKeyQQLVYDIARCTBHU-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.04
Rot. Bonds4

About 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol

2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol (PubChem CID 115359182) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol
PubChem CID115359182
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol
SMILESCC(C)(CO)CNC1CCNC1
InChIInChI=1S/C9H20N2O/c1-9(2,7-12)6-11-8-3-4-10-5-8/h8,10-12H,3-7H2,1-2H3
InChIKeyQQLVYDIARCTBHU-UHFFFAOYSA-N
XLogP-0.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol (CID 115359182) is 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol is CC(C)(CO)CNC1CCNC1.
What is the InChIKey of 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol?
The InChIKey is QQLVYDIARCTBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,7-12)6-11-8-3-4-10-5-8/h8,10-12H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol?
2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(pyrrolidin-3-ylamino)propan-1-ol is sourced from PubChem (CID 115359182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).