3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol

C10H22N2O — CID 106638771

IUPAC3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol
SMILESCC(C)C(CO)NCC1CCCN1
InChIInChI=1S/C10H22N2O/c1-8(2)10(7-13)12-6-9-4-3-5-11-9/h8-13H,3-7H2,1-2H3
InChIKeySSAONAKTAPJVIV-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.34
Rot. Bonds5

About 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol

3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol (PubChem CID 106638771) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol
PubChem CID106638771
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol
SMILESCC(C)C(CO)NCC1CCCN1
InChIInChI=1S/C10H22N2O/c1-8(2)10(7-13)12-6-9-4-3-5-11-9/h8-13H,3-7H2,1-2H3
InChIKeySSAONAKTAPJVIV-UHFFFAOYSA-N
XLogP0.34
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol?
The IUPAC name of 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol (CID 106638771) is 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol is CC(C)C(CO)NCC1CCCN1.
What is the InChIKey of 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol?
The InChIKey is SSAONAKTAPJVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(7-13)12-6-9-4-3-5-11-9/h8-13H,3-7H2,1-2H3.
What are the key properties of 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol?
3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrrolidin-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 106638771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).