N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C13H23N3 — CID 66413133

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCCn1cccc1CNCC1CCN(C)C1
InChIInChI=1S/C13H23N3/c1-3-16-7-4-5-13(16)10-14-9-12-6-8-15(2)11-12/h4-5,7,12,14H,3,6,8-11H2,1-2H3
InChIKeyVVUIGKYCINYQMO-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.55
Rot. Bonds5

About N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 66413133) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID66413133
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCCn1cccc1CNCC1CCN(C)C1
InChIInChI=1S/C13H23N3/c1-3-16-7-4-5-13(16)10-14-9-12-6-8-15(2)11-12/h4-5,7,12,14H,3,6,8-11H2,1-2H3
InChIKeyVVUIGKYCINYQMO-UHFFFAOYSA-N
XLogP1.55
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 66413133) is N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is CCn1cccc1CNCC1CCN(C)C1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is VVUIGKYCINYQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-16-7-4-5-13(16)10-14-9-12-6-8-15(2)11-12/h4-5,7,12,14H,3,6,8-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 66413133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).