N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine

C18H27N3 — CID 106316607

IUPACN-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
SMILESCCCc1cc(CNC2CC2)cc(N2CCC=C(C)C2)n1
InChIInChI=1S/C18H27N3/c1-3-5-17-10-15(12-19-16-7-8-16)11-18(20-17)21-9-4-6-14(2)13-21/h6,10-11,16,19H,3-5,7-9,12-13H2,1-2H3
InChIKeyITOFBWOITFGGLV-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.44
Rot. Bonds6

About N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 106316607) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
PubChem CID106316607
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
SMILESCCCc1cc(CNC2CC2)cc(N2CCC=C(C)C2)n1
InChIInChI=1S/C18H27N3/c1-3-5-17-10-15(12-19-16-7-8-16)11-18(20-17)21-9-4-6-14(2)13-21/h6,10-11,16,19H,3-5,7-9,12-13H2,1-2H3
InChIKeyITOFBWOITFGGLV-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine 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-[[2-ethyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 106316542
N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-[[2-(oxetan-3-yloxy)-6-propyl-4-pyridinyl]methyl]cyclopropanamine
CID 102607892
1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 72848013
[2-(3-methoxypiperidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 102964270
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine
CID 103537257
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114172725
[2-(4-methylpiperazin-1-yl)-6-propyl-4-pyridinyl]methanamine
CID 113381277
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976
[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 113380522
4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 72849212

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine (CID 106316607) is N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine is CCCc1cc(CNC2CC2)cc(N2CCC=C(C)C2)n1.
What is the InChIKey of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ITOFBWOITFGGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-5-17-10-15(12-19-16-7-8-16)11-18(20-17)21-9-4-6-14(2)13-21/h6,10-11,16,19H,3-5,7-9,12-13H2,1-2H3.
What are the key properties of N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 285.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propyl-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106316607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).