N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

C20H36N6 — CID 111221717

IUPACN-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCCN(CCC)CCCN/C(=N\C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H36N6/c1-4-12-24(13-5-2)14-8-11-23-20(21-3)26-17-15-25(16-18-26)19-9-6-7-10-22-19/h6-7,9-10H,4-5,8,11-18H2,1-3H3,(H,21,23)
InChIKeySAGQXNVWGLSZNV-UHFFFAOYSA-N
MW360.55 g/mol
LogP2.29
Rot. Bonds9

About N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide

N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111221717) has the molecular formula C20H36N6 and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111221717
Molecular FormulaC20H36N6
Molecular Weight360.55 g/mol
Exact Mass360.30
IUPAC NameN-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCCN(CCC)CCCN/C(=N\C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H36N6/c1-4-12-24(13-5-2)14-8-11-23-20(21-3)26-17-15-25(16-18-26)19-9-6-7-10-22-19/h6-7,9-10H,4-5,8,11-18H2,1-3H3,(H,21,23)
InChIKeySAGQXNVWGLSZNV-UHFFFAOYSA-N
XLogP2.29
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dipropylamino)propyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111208170
N'-methyl-N-[3-(N-methylanilino)propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221297
N'-methyl-4-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide
CID 111219091
N'-methyl-N-(2-methylsulfanylethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221596
N-[3-(4-fluorophenoxy)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220277
methyl 7-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]heptanoate;hydroiodide
CID 111219674
N-(3-cyclopentyloxypropyl)-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219042
N,N'-dimethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219018
N'-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220005
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219059
N'-methyl-N-[2-(3-methylphenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219325
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119130984

Frequently Asked Questions

What is the IUPAC name of N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111221717) is N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is CCCN(CCC)CCCN/C(=N\C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is SAGQXNVWGLSZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6/c1-4-12-24(13-5-2)14-8-11-23-20(21-3)26-17-15-25(16-18-26)19-9-6-7-10-22-19/h6-7,9-10H,4-5,8,11-18H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 360.55 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dipropylamino)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111221717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).