N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine

C10H18N2O — CID 163853856

IUPACN,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine
SMILESCN(OCc1ccc[nH]1)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-10(2,3)12(4)13-8-9-6-5-7-11-9/h5-7,11H,8H2,1-4H3
InChIKeyOWQLMUVTCWKWDN-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.18
Rot. Bonds3

About N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine

N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine (PubChem CID 163853856) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine
PubChem CID163853856
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine
SMILESCN(OCc1ccc[nH]1)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-10(2,3)12(4)13-8-9-6-5-7-11-9/h5-7,11H,8H2,1-4H3
InChIKeyOWQLMUVTCWKWDN-UHFFFAOYSA-N
XLogP2.18
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115133017
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
1H-pyrrol-2-ylmethylhydrazine
CID 53275207
4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
CID 55060168
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
CID 115258536
2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 116927654
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379
2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115258110
2-methyl-2-(1H-pyrrol-2-ylmethylamino)butan-1-ol
CID 64551394

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine?
The IUPAC name of N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine (CID 163853856) is N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine?
The canonical SMILES for N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine is CN(OCc1ccc[nH]1)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine?
The InChIKey is OWQLMUVTCWKWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)12(4)13-8-9-6-5-7-11-9/h5-7,11H,8H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine?
N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1H-pyrrol-2-ylmethoxy)propan-2-amine is sourced from PubChem (CID 163853856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).