2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine

C17H29N3 — CID 60962171

IUPAC2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H29N3/c1-15(2)12-18-13-16-4-6-17(7-5-16)14-20-10-8-19(3)9-11-20/h4-7,15,18H,8-14H2,1-3H3
InChIKeyXRHGAMQQIXDZML-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.18
Rot. Bonds6

About 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 60962171) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID60962171
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H29N3/c1-15(2)12-18-13-16-4-6-17(7-5-16)14-20-10-8-19(3)9-11-20/h4-7,15,18H,8-14H2,1-3H3
InChIKeyXRHGAMQQIXDZML-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 107453759
N-[[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63492552
4-[[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]methyl]benzonitrile
CID 47052709
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905480
2-methyl-3-(methylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 119901426
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
1-methyl-4-[[4-[(2R)-3-methylbutan-2-yl]phenyl]methyl]piperazine
CID 134243219
3-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butan-1-amine
CID 83962751
(2S)-2-amino-4-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pentanamide
CID 119901452
2-methyl-N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62419602
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine (CID 60962171) is 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine is CC(C)CNCc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is XRHGAMQQIXDZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)12-18-13-16-4-6-17(7-5-16)14-20-10-8-19(3)9-11-20/h4-7,15,18H,8-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60962171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).