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

C16H24ClN3 — CID 114412626

IUPACN-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC1=CCN(c2ccc(Cl)c(CNCC(C)C)n2)CC1
InChIInChI=1S/C16H24ClN3/c1-12(2)10-18-11-15-14(17)4-5-16(19-15)20-8-6-13(3)7-9-20/h4-6,12,18H,7-11H2,1-3H3
InChIKeyLVQIYMLFNXGXMV-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.64
Rot. Bonds5

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

N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114412626) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114412626
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC1=CCN(c2ccc(Cl)c(CNCC(C)C)n2)CC1
InChIInChI=1S/C16H24ClN3/c1-12(2)10-18-11-15-14(17)4-5-16(19-15)20-8-6-13(3)7-9-20/h4-6,12,18H,7-11H2,1-3H3
InChIKeyLVQIYMLFNXGXMV-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55054651
[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol
CID 114412403
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114412629
N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577
N-[[5-chloro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927246
N-[[3-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62285541
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chloro-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295326
2-methyl-N-[[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412754
[2-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412685
4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 114413207
N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 114412750
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 114412848

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114412626) is N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC1=CCN(c2ccc(Cl)c(CNCC(C)C)n2)CC1.
What is the InChIKey of N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LVQIYMLFNXGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-12(2)10-18-11-15-14(17)4-5-16(19-15)20-8-6-13(3)7-9-20/h4-6,12,18H,7-11H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114412626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).