N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine

C18H29N3 — CID 114412705

IUPACN-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCN(c2cc(CNC(C)C)cc(C(C)C)n2)CC1
InChIInChI=1S/C18H29N3/c1-13(2)17-10-16(12-19-14(3)4)11-18(20-17)21-8-6-15(5)7-9-21/h6,10-11,13-14,19H,7-9,12H2,1-5H3
InChIKeyYEOKPOQNUGMEJL-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.86
Rot. Bonds5

About N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine

N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114412705) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
PubChem CID114412705
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
SMILESCC1=CCN(c2cc(CNC(C)C)cc(C(C)C)n2)CC1
InChIInChI=1S/C18H29N3/c1-13(2)17-10-16(12-19-14(3)4)11-18(20-17)21-8-6-15(5)7-9-21/h6,10-11,13-14,19H,7-9,12H2,1-5H3
InChIKeyYEOKPOQNUGMEJL-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine with MolForge

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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
[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
CID 114412400
N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390492
4-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-2-amine
CID 103850288
N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114413229
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114412629
N-[[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
CID 102607974
4-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 156652207
N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412626
N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114413222
N-[[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114172687
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 114413331

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine (CID 114412705) is N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine is CC1=CCN(c2cc(CNC(C)C)cc(C(C)C)n2)CC1.
What is the InChIKey of N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is YEOKPOQNUGMEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)17-10-16(12-19-14(3)4)11-18(20-17)21-8-6-15(5)7-9-21/h6,10-11,13-14,19H,7-9,12H2,1-5H3.
What are the key properties of N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114412705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).