N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine

C19H34N4 — CID 142164338

IUPACN-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine
SMILESC=C1C=CN(CCCNC)C(C2CCCN(CCCNC)C2)=C1
InChIInChI=1S/C19H34N4/c1-17-8-14-23(13-6-10-21-3)19(15-17)18-7-4-11-22(16-18)12-5-9-20-2/h8,14-15,18,20-21H,1,4-7,9-13,16H2,2-3H3
InChIKeyPSMJNGGHUVYSMH-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.19
Rot. Bonds9

About N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine

N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine (PubChem CID 142164338) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine
PubChem CID142164338
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC NameN-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine
SMILESC=C1C=CN(CCCNC)C(C2CCCN(CCCNC)C2)=C1
InChIInChI=1S/C19H34N4/c1-17-8-14-23(13-6-10-21-3)19(15-17)18-7-4-11-22(16-18)12-5-9-20-2/h8,14-15,18,20-21H,1,4-7,9-13,16H2,2-3H3
InChIKeyPSMJNGGHUVYSMH-UHFFFAOYSA-N
XLogP2.19
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
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-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine (CID 142164338) is N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine is C=C1C=CN(CCCNC)C(C2CCCN(CCCNC)C2)=C1.
What is the InChIKey of N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine?
The InChIKey is PSMJNGGHUVYSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-17-8-14-23(13-6-10-21-3)19(15-17)18-7-4-11-22(16-18)12-5-9-20-2/h8,14-15,18,20-21H,1,4-7,9-13,16H2,2-3H3.
What are the key properties of N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine?
N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine has a molecular weight of 318.51 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-[1-[3-(methylamino)propyl]-4-methylidene-2-pyridinyl]piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 142164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).