2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C12H20N2O — CID 115641653

IUPAC2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCn1cccc1CNCCOCC1CC1
InChIInChI=1S/C12H20N2O/c1-14-7-2-3-12(14)9-13-6-8-15-10-11-4-5-11/h2-3,7,11,13H,4-6,8-10H2,1H3
InChIKeyINJBUHSRWZBURB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.54
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 115641653) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID115641653
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCn1cccc1CNCCOCC1CC1
InChIInChI=1S/C12H20N2O/c1-14-7-2-3-12(14)9-13-6-8-15-10-11-4-5-11/h2-3,7,11,13H,4-6,8-10H2,1H3
InChIKeyINJBUHSRWZBURB-UHFFFAOYSA-N
XLogP1.54
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126325
3-butoxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 115574170
1-(3-methylcyclopentyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 107412144
3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 28878150
2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114097894
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62599394
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine
CID 83229360
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine
CID 114097887

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 115641653) is 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is Cn1cccc1CNCCOCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is INJBUHSRWZBURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14-7-2-3-12(14)9-13-6-8-15-10-11-4-5-11/h2-3,7,11,13H,4-6,8-10H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115641653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).