N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine

C17H29N3 — CID 122144352

IUPACN-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCN1CCN(CCC(C)(C)NCc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-17(2,18-15-16-7-5-4-6-8-16)9-10-20-13-11-19(3)12-14-20/h4-8,18H,9-15H2,1-3H3
InChIKeyVRNVJXLHNIAUQL-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.19
Rot. Bonds6

About N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine

N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine (PubChem CID 122144352) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine
PubChem CID122144352
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine
SMILESCN1CCN(CCC(C)(C)NCc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-17(2,18-15-16-7-5-4-6-8-16)9-10-20-13-11-19(3)12-14-20/h4-8,18H,9-15H2,1-3H3
InChIKeyVRNVJXLHNIAUQL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
The IUPAC name of N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine (CID 122144352) is N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine is CN1CCN(CCC(C)(C)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
The InChIKey is VRNVJXLHNIAUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,18-15-16-7-5-4-6-8-16)9-10-20-13-11-19(3)12-14-20/h4-8,18H,9-15H2,1-3H3.
What are the key properties of N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine?
N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-4-(4-methylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 122144352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).