N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine

C13H23N3 — CID 11501840

IUPACN-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CNCCC)n1
InChIInChI=1S/C13H23N3/c1-3-8-14-10-12-6-5-7-13(16-12)11-15-9-4-2/h5-7,14-15H,3-4,8-11H2,1-2H3
InChIKeyFVVSPKOBSGDZDT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.08
Rot. Bonds8

About N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 11501840) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID11501840
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CNCCC)n1
InChIInChI=1S/C13H23N3/c1-3-8-14-10-12-6-5-7-13(16-12)11-15-9-4-2/h5-7,14-15H,3-4,8-11H2,1-2H3
InChIKeyFVVSPKOBSGDZDT-UHFFFAOYSA-N
XLogP2.08
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908474
N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine
CID 106906804
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-[[6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907228
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906020

Frequently Asked Questions

What is the IUPAC name of N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine (CID 11501840) is N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(CNCCC)n1.
What is the InChIKey of N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is FVVSPKOBSGDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-8-14-10-12-6-5-7-13(16-12)11-15-9-4-2/h5-7,14-15H,3-4,8-11H2,1-2H3.
What are the key properties of N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 11501840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).