N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium

C10H13N3Ti — CID 87971056

IUPACN-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium
SMILESCCN(c1ccc[nH]1)c1ccc[nH]1.[Ti]
InChIInChI=1S/C10H13N3.Ti/c1-2-13(9-5-3-7-11-9)10-6-4-8-12-10;/h3-8,11-12H,2H2,1H3;
InChIKeyAPKWAGAVOCZJJQ-UHFFFAOYSA-N
MW223.10 g/mol
LogP2.50
Rot. Bonds3

About N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium

N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium (PubChem CID 87971056) has the molecular formula C10H13N3Ti and a molecular weight of 223.10 g/mol. Its IUPAC name is N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium.

Molecular Properties

Compound NameN-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium
PubChem CID87971056
Molecular FormulaC10H13N3Ti
Molecular Weight223.10 g/mol
Exact Mass223.06
IUPAC NameN-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium
SMILESCCN(c1ccc[nH]1)c1ccc[nH]1.[Ti]
InChIInChI=1S/C10H13N3.Ti/c1-2-13(9-5-3-7-11-9)10-6-4-8-12-10;/h3-8,11-12H,2H2,1H3;
InChIKeyAPKWAGAVOCZJJQ-UHFFFAOYSA-N
XLogP2.50
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
N-pentyl-N-(1H-pyrrol-2-yl)formamide
CID 173285327
N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine
CID 115215519
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
N,N-dimethyl-N'-octyl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 71575889
N,N-dimethyl-1H-pyrrol-2-amine;pyridine
CID 174798195
3-[methyl(1H-pyrrol-2-yl)amino]-3-oxopropanoic acid
CID 115163315
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
N-methyl-4-oxo-N-(1H-pyrrol-2-yl)pentanamide
CID 115176799
2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile
CID 115130011
N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212707

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium?
The IUPAC name of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium (CID 87971056) is N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium.
What is the SMILES notation for N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium?
The canonical SMILES for N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium is CCN(c1ccc[nH]1)c1ccc[nH]1.[Ti].
What is the InChIKey of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium?
The InChIKey is APKWAGAVOCZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.Ti/c1-2-13(9-5-3-7-11-9)10-6-4-8-12-10;/h3-8,11-12H,2H2,1H3;.
What are the key properties of N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium?
N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium has a molecular weight of 223.10 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium is sourced from PubChem (CID 87971056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).