2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine

C16H28N4 — CID 62278791

IUPAC2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCN(C)CC1
InChIInChI=1S/C16H28N4/c1-14(2)12-17-13-15-6-4-7-18-16(15)20-9-5-8-19(3)10-11-20/h4,6-7,14,17H,5,8-13H2,1-3H3
InChIKeyHITAYBWKWAVBIW-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62278791) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62278791
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCN(C)CC1
InChIInChI=1S/C16H28N4/c1-14(2)12-17-13-15-6-4-7-18-16(15)20-9-5-8-19(3)10-11-20/h4,6-7,14,17H,5,8-13H2,1-3H3
InChIKeyHITAYBWKWAVBIW-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412532
N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 26394420
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115562080
N-[[2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63972016
1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine
CID 45251381
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
2-methyl-N-[[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55134819
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 29087481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62278791) is 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cccnc1N1CCCN(C)CC1.
What is the InChIKey of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is HITAYBWKWAVBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-14(2)12-17-13-15-6-4-7-18-16(15)20-9-5-8-19(3)10-11-20/h4,6-7,14,17H,5,8-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62278791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).