2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine

C18H39N3 — CID 62774634

IUPAC2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
SMILESCCC(C)N1CCN(CC(C)(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C18H39N3/c1-8-16(3)21-12-10-20(11-13-21)15-18(7,9-2)14-19-17(4,5)6/h16,19H,8-15H2,1-7H3
InChIKeyMTMLOMPIJJEEOZ-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.21
Rot. Bonds7

About 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine

2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine (PubChem CID 62774634) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
PubChem CID62774634
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
SMILESCCC(C)N1CCN(CC(C)(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C18H39N3/c1-8-16(3)21-12-10-20(11-13-21)15-18(7,9-2)14-19-17(4,5)6/h16,19H,8-15H2,1-7H3
InChIKeyMTMLOMPIJJEEOZ-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
The IUPAC name of 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine (CID 62774634) is 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
The canonical SMILES for 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine is CCC(C)N1CCN(CC(C)(CC)CNC(C)(C)C)CC1.
What is the InChIKey of 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
The InChIKey is MTMLOMPIJJEEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-8-16(3)21-12-10-20(11-13-21)15-18(7,9-2)14-19-17(4,5)6/h16,19H,8-15H2,1-7H3.
What are the key properties of 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine?
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine is sourced from PubChem (CID 62774634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).