N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine

C16H28N4 — CID 81250058

IUPACN-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CCCN(C)CC1
InChIInChI=1S/C16H28N4/c1-4-6-17-12-15-13-18-14(2)11-16(15)20-8-5-7-19(3)9-10-20/h11,13,17H,4-10,12H2,1-3H3
InChIKeyIWLHWFOCCOXVLV-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.03
Rot. Bonds5

About N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81250058) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81250058
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1N1CCCN(C)CC1
InChIInChI=1S/C16H28N4/c1-4-6-17-12-15-13-18-14(2)11-16(15)20-8-5-7-19(3)9-10-20/h11,13,17H,4-10,12H2,1-3H3
InChIKeyIWLHWFOCCOXVLV-UHFFFAOYSA-N
XLogP2.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-(azocan-1-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81248493
2-methyl-N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248695
N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81249710
N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
CID 81254307
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
N-[[4-(2,6-dimethylthiomorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81247380
1-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methylpiperazine
CID 81238657
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
N-[[6-methyl-4-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81249357
N-[[4-(4-cyclopropylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81248099
N-[[4-(3-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81246490
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 81250058) is N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1N1CCCN(C)CC1.
What is the InChIKey of N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is IWLHWFOCCOXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-6-17-12-15-13-18-14(2)11-16(15)20-8-5-7-19(3)9-10-20/h11,13,17H,4-10,12H2,1-3H3.
What are the key properties of N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81250058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).