4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol

C11H21N3O — CID 117039305

IUPAC4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
SMILESCN(CCc1cc[nH]c1)CC(O)CCN
InChIInChI=1S/C11H21N3O/c1-14(9-11(15)2-5-12)7-4-10-3-6-13-8-10/h3,6,8,11,13,15H,2,4-5,7,9,12H2,1H3
InChIKeyLPYXNYLPRXQQPH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.20
Rot. Bonds7

About 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol

4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol (PubChem CID 117039305) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
PubChem CID117039305
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
SMILESCN(CCc1cc[nH]c1)CC(O)CCN
InChIInChI=1S/C11H21N3O/c1-14(9-11(15)2-5-12)7-4-10-3-6-13-8-10/h3,6,8,11,13,15H,2,4-5,7,9,12H2,1H3
InChIKeyLPYXNYLPRXQQPH-UHFFFAOYSA-N
XLogP0.20
TPSA65.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1H-pyrrole
CID 258383
3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
CID 53325633
2-(1H-pyrrol-3-yl)ethan-1-amine
CID 13437354
1-(2-Hydroxyethyl)-3-isopropylpyrrole
CID 22947752
4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol
CID 155775433
Pyrrole-3-ethanol
CID 287071
N,N-Dipropyl-1H-pyrrole-3-ethanamine
CID 14168436
1-(2-Hydroxyethyl)-3-octylpyrrole
CID 129755374
2-(3-Ethylpyrrol-1-yl)ethanol
CID 134841198
2-fluoro-2-methyl-1-(1H-pyrrol-3-yl)propan-1-ol
CID 130561764
1-[3-(1-aminoethyl)-1H-pyrrol-1-yl]-3-fluoropropan-2-ol
CID 165598667
2-fluoro-1-(1H-pyrrol-3-yl)ethan-1-ol
CID 165880182

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol?
The IUPAC name of 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol (CID 117039305) is 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol?
The canonical SMILES for 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol is CN(CCc1cc[nH]c1)CC(O)CCN.
What is the InChIKey of 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol?
The InChIKey is LPYXNYLPRXQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(9-11(15)2-5-12)7-4-10-3-6-13-8-10/h3,6,8,11,13,15H,2,4-5,7,9,12H2,1H3.
What are the key properties of 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol?
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 117039305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).