N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine

C17H30N4 — CID 81254307

IUPACN,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
SMILESCCCNCc1cnc(C)cc1N1CCCC(N(C)C)C1
InChIInChI=1S/C17H30N4/c1-5-8-18-11-15-12-19-14(2)10-17(15)21-9-6-7-16(13-21)20(3)4/h10,12,16,18H,5-9,11,13H2,1-4H3
InChIKeyCLCRTYUCCVBJHM-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.42
Rot. Bonds6

About N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine

N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine (PubChem CID 81254307) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
PubChem CID81254307
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine
SMILESCCCNCc1cnc(C)cc1N1CCCC(N(C)C)C1
InChIInChI=1S/C17H30N4/c1-5-8-18-11-15-12-19-14(2)10-17(15)21-9-6-7-16(13-21)20(3)4/h10,12,16,18H,5-9,11,13H2,1-4H3
InChIKeyCLCRTYUCCVBJHM-UHFFFAOYSA-N
XLogP2.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine (CID 81254307) is N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine is CCCNCc1cnc(C)cc1N1CCCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine?
The InChIKey is CLCRTYUCCVBJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-8-18-11-15-12-19-14(2)10-17(15)21-9-6-7-16(13-21)20(3)4/h10,12,16,18H,5-9,11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine?
N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine has a molecular weight of 290.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-5-(propylaminomethyl)-4-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 81254307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).