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

C16H25N3 — CID 114412599

IUPACN-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(N2CC=CCC2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C16H25N3/c1-13-10-15(19-8-6-5-7-9-19)14(11-17-13)12-18-16(2,3)4/h5-6,10-11,18H,7-9,12H2,1-4H3
InChIKeySDCSEYPGUDJJFL-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.04
Rot. Bonds3

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

N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114412599) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114412599
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(N2CC=CCC2)c(CNC(C)(C)C)cn1
InChIInChI=1S/C16H25N3/c1-13-10-15(19-8-6-5-7-9-19)14(11-17-13)12-18-16(2,3)4/h5-6,10-11,18H,7-9,12H2,1-4H3
InChIKeySDCSEYPGUDJJFL-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114412599) is N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(N2CC=CCC2)c(CNC(C)(C)C)cn1.
What is the InChIKey of N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SDCSEYPGUDJJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-10-15(19-8-6-5-7-9-19)14(11-17-13)12-18-16(2,3)4/h5-6,10-11,18H,7-9,12H2,1-4H3.
What are the key properties of N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114412599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).