N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine

C16H25N3 — CID 66411029

IUPACN-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC(C)C)c2ncccc12
InChIInChI=1S/C16H25N3/c1-4-8-17-11-14-12-19(10-7-13(2)3)16-15(14)6-5-9-18-16/h5-6,9,12-13,17H,4,7-8,10-11H2,1-3H3
InChIKeyKDQUVMCJRJJSTC-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.58
Rot. Bonds7

About N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine

N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine (PubChem CID 66411029) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
PubChem CID66411029
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC(C)C)c2ncccc12
InChIInChI=1S/C16H25N3/c1-4-8-17-11-14-12-19(10-7-13(2)3)16-15(14)6-5-9-18-16/h5-6,9,12-13,17H,4,7-8,10-11H2,1-3H3
InChIKeyKDQUVMCJRJJSTC-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412006
N-[[1-(2-ethylsulfonylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411620
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 116617067
5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66413411
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411229
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
2,2-dimethyl-3-[3-(propylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
CID 79619622
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412791
N-[[1-(2-pyrazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66412190
N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
CID 66412817
N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411997

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine (CID 66411029) is N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine is CCCNCc1cn(CCC(C)C)c2ncccc12.
What is the InChIKey of N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
The InChIKey is KDQUVMCJRJJSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-8-17-11-14-12-19(10-7-13(2)3)16-15(14)6-5-9-18-16/h5-6,9,12-13,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine?
N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66411029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).