N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine

C24H36N4 — CID 77089907

IUPACN-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCCC(c1ccccn1)N(C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C
InChIInChI=1S/C24H36N4/c1-6-24(23-9-7-8-10-25-23)27(5)17-21-15-19(2)16-22(20(21)3)18-28-13-11-26(4)12-14-28/h7-10,15-16,24H,6,11-14,17-18H2,1-5H3
InChIKeyWGQZWSJUFVSTPT-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.03
Rot. Bonds7

About N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine

N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine (PubChem CID 77089907) has the molecular formula C24H36N4 and a molecular weight of 380.58 g/mol. Its IUPAC name is N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine
PubChem CID77089907
Molecular FormulaC24H36N4
Molecular Weight380.58 g/mol
Exact Mass380.29
IUPAC NameN-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCCC(c1ccccn1)N(C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C
InChIInChI=1S/C24H36N4/c1-6-24(23-9-7-8-10-25-23)27(5)17-21-15-19(2)16-22(20(21)3)18-28-13-11-26(4)12-14-28/h7-10,15-16,24H,6,11-14,17-18H2,1-5H3
InChIKeyWGQZWSJUFVSTPT-UHFFFAOYSA-N
XLogP4.03
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine?
The IUPAC name of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine (CID 77089907) is N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine?
The canonical SMILES for N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine is CCC(c1ccccn1)N(C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C.
What is the InChIKey of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine?
The InChIKey is WGQZWSJUFVSTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4/c1-6-24(23-9-7-8-10-25-23)27(5)17-21-15-19(2)16-22(20(21)3)18-28-13-11-26(4)12-14-28/h7-10,15-16,24H,6,11-14,17-18H2,1-5H3.
What are the key properties of N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine?
N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine has a molecular weight of 380.58 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N-methyl-1-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 77089907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).