3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol

C11H22N2O2 — CID 106599810

IUPAC3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C11H22N2O2/c14-8-11(15)7-13(10-3-4-10)6-9-2-1-5-12-9/h9-12,14-15H,1-8H2
InChIKeyQALHIISTPMKSCM-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.44
Rot. Bonds6

About 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol

3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol (PubChem CID 106599810) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
PubChem CID106599810
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C11H22N2O2/c14-8-11(15)7-13(10-3-4-10)6-9-2-1-5-12-9/h9-12,14-15H,1-8H2
InChIKeyQALHIISTPMKSCM-UHFFFAOYSA-N
XLogP-0.44
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992751
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
3-[cyclopropyl(piperidin-4-ylmethyl)amino]propane-1,2-diol
CID 82850216
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631447
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604544

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol (CID 106599810) is 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol is OCC(O)CN(CC1CCCN1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol?
The InChIKey is QALHIISTPMKSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-8-11(15)7-13(10-3-4-10)6-9-2-1-5-12-9/h9-12,14-15H,1-8H2.
What are the key properties of 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol?
3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol has a molecular weight of 214.31 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol is sourced from PubChem (CID 106599810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).