N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine

C16H23N3 — CID 79097553

IUPACN-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(Cc2ccccn2)c1)C(C)C
InChIInChI=1S/C16H23N3/c1-4-17-16(13(2)3)14-8-10-19(11-14)12-15-7-5-6-9-18-15/h5-11,13,16-17H,4,12H2,1-3H3
InChIKeyJWIDLJCWRBDNBH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.24
Rot. Bonds6

About N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine

N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79097553) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79097553
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(c1ccn(Cc2ccccn2)c1)C(C)C
InChIInChI=1S/C16H23N3/c1-4-17-16(13(2)3)14-8-10-19(11-14)12-15-7-5-6-9-18-15/h5-11,13,16-17H,4,12H2,1-3H3
InChIKeyJWIDLJCWRBDNBH-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine (CID 79097553) is N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine is CCNC(c1ccn(Cc2ccccn2)c1)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is JWIDLJCWRBDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-16(13(2)3)14-8-10-19(11-14)12-15-7-5-6-9-18-15/h5-11,13,16-17H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79097553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).