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

C10H22N2O — CID 106639404

IUPAC3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
SMILESCC(C)C(O)CNCC1CCCN1
InChIInChI=1S/C10H22N2O/c1-8(2)10(13)7-11-6-9-4-3-5-12-9/h8-13H,3-7H2,1-2H3
InChIKeyFCCUCJUOTQZXCT-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.34
Rot. Bonds5

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

3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol (PubChem CID 106639404) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
PubChem CID106639404
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
SMILESCC(C)C(O)CNCC1CCCN1
InChIInChI=1S/C10H22N2O/c1-8(2)10(13)7-11-6-9-4-3-5-12-9/h8-13H,3-7H2,1-2H3
InChIKeyFCCUCJUOTQZXCT-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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Related Compounds

2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
CID 106638610
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106639319
4,4-dimethyl-1-(pyrrolidin-2-ylmethylamino)pentan-2-ol
CID 107151421
1-(cyclopentylmethylamino)-3-methylbutan-2-ol
CID 115907214
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine
CID 115407441
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139
2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106638144

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol (CID 106639404) is 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol is CC(C)C(O)CNCC1CCCN1.
What is the InChIKey of 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol?
The InChIKey is FCCUCJUOTQZXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(13)7-11-6-9-4-3-5-12-9/h8-13H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol?
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-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-1-(pyrrolidin-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 106639404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).