2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine

C17H29N3 — CID 28728842

IUPAC2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCc1cccc(CNCC(C)(C)N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3/c1-15-6-5-7-16(12-15)13-18-14-17(2,3)20-10-8-19(4)9-11-20/h5-7,12,18H,8-11,13-14H2,1-4H3
InChIKeyKMUMOXQZUONEDC-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.11
Rot. Bonds5

About 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine

2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 28728842) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID28728842
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCc1cccc(CNCC(C)(C)N2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3/c1-15-6-5-7-16(12-15)13-18-14-17(2,3)20-10-8-19(4)9-11-20/h5-7,12,18H,8-11,13-14H2,1-4H3
InChIKeyKMUMOXQZUONEDC-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 28728842) is 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine is Cc1cccc(CNCC(C)(C)N2CCN(C)CC2)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is KMUMOXQZUONEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15-6-5-7-16(12-15)13-18-14-17(2,3)20-10-8-19(4)9-11-20/h5-7,12,18H,8-11,13-14H2,1-4H3.
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine?
2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 28728842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).