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

C9H20N2O — CID 106638610

IUPAC2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
SMILESCC(CO)CNCC1CCCN1
InChIInChI=1S/C9H20N2O/c1-8(7-12)5-10-6-9-3-2-4-11-9/h8-12H,2-7H2,1H3
InChIKeyVPKBBWJRBPKIAG-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.04
Rot. Bonds5

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

2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol (PubChem CID 106638610) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
PubChem CID106638610
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
SMILESCC(CO)CNCC1CCCN1
InChIInChI=1S/C9H20N2O/c1-8(7-12)5-10-6-9-3-2-4-11-9/h8-12H,2-7H2,1H3
InChIKeyVPKBBWJRBPKIAG-UHFFFAOYSA-N
XLogP-0.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106639319
4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
CID 107151421
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
N'-methyl-N'-propan-2-yl-N-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106638352
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol (CID 106638610) is 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol is CC(CO)CNCC1CCCN1.
What is the InChIKey of 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
The InChIKey is VPKBBWJRBPKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(7-12)5-10-6-9-3-2-4-11-9/h8-12H,2-7H2,1H3.
What are the key properties of 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol?
2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106638610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).