N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine

C15H21N3 — CID 79330340

IUPACN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1c[nH]c2ncccc12)CC
InChIInChI=1S/C15H21N3/c1-3-7-16-10-12(4-2)9-13-11-18-15-14(13)6-5-8-17-15/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyRYRPHMXWMJOTGX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.36
Rot. Bonds6

About N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine

N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine (PubChem CID 79330340) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine
PubChem CID79330340
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1c[nH]c2ncccc12)CC
InChIInChI=1S/C15H21N3/c1-3-7-16-10-12(4-2)9-13-11-18-15-14(13)6-5-8-17-15/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyRYRPHMXWMJOTGX-UHFFFAOYSA-N
XLogP3.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine?
The IUPAC name of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine (CID 79330340) is N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine?
The canonical SMILES for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine is CCCNCC(=Cc1c[nH]c2ncccc12)CC.
What is the InChIKey of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine?
The InChIKey is RYRPHMXWMJOTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-7-16-10-12(4-2)9-13-11-18-15-14(13)6-5-8-17-15/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,17,18).
What are the key properties of N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine?
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79330340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).