2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol

C9H17N3O — CID 82040464

IUPAC2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol
SMILESCN(CCO)C(CN)c1ccc[nH]1
InChIInChI=1S/C9H17N3O/c1-12(5-6-13)9(7-10)8-3-2-4-11-8/h2-4,9,11,13H,5-7,10H2,1H3
InChIKeyKCZRWLSIPXZOMS-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.06
Rot. Bonds5

About 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol

2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol (PubChem CID 82040464) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol
PubChem CID82040464
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol
SMILESCN(CCO)C(CN)c1ccc[nH]1
InChIInChI=1S/C9H17N3O/c1-12(5-6-13)9(7-10)8-3-2-4-11-8/h2-4,9,11,13H,5-7,10H2,1H3
InChIKeyKCZRWLSIPXZOMS-UHFFFAOYSA-N
XLogP-0.06
TPSA65.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]phenol
CID 82041220
N,N-dibutyl-1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 82041457
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol
CID 112500855
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
2-[[2-amino-1-(4-nitrophenyl)ethyl]-methylamino]ethanol
CID 82041498
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
2-[butyl(methyl)amino]-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84749884
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol (CID 82040464) is 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol is CN(CCO)C(CN)c1ccc[nH]1.
What is the InChIKey of 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol?
The InChIKey is KCZRWLSIPXZOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-12(5-6-13)9(7-10)8-3-2-4-11-8/h2-4,9,11,13H,5-7,10H2,1H3.
What are the key properties of 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol?
2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol has a molecular weight of 183.25 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(1H-pyrrol-2-yl)ethyl]-methylamino]ethanol is sourced from PubChem (CID 82040464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).