N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine

C16H28N4 — CID 62279254

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)C1CCN(C)CC1
InChIInChI=1S/C16H28N4/c1-4-9-17-13-14-6-5-10-18-16(14)20(3)15-7-11-19(2)12-8-15/h5-6,10,15,17H,4,7-9,11-13H2,1-3H3
InChIKeyNHGUCHPBFUKEQG-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds6

About N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine

N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62279254) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62279254
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)C1CCN(C)CC1
InChIInChI=1S/C16H28N4/c1-4-9-17-13-14-6-5-10-18-16(14)20(3)15-7-11-19(2)12-8-15/h5-6,10,15,17H,4,7-9,11-13H2,1-3H3
InChIKeyNHGUCHPBFUKEQG-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-[[2-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 62288582
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
3-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 62287807
(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
CID 114055774
N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine (CID 62279254) is N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccnc1N(C)C1CCN(C)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is NHGUCHPBFUKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-9-17-13-14-6-5-10-18-16(14)20(3)15-7-11-19(2)12-8-15/h5-6,10,15,17H,4,7-9,11-13H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine?
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62279254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).