2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

C17H37N3 — CID 62258815

IUPAC2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3/c1-8-17(7,13-18-15(2)3)14-19-9-11-20(12-10-19)16(4,5)6/h15,18H,8-14H2,1-7H3
InChIKeyVYHDLQDCKDOIBX-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds6

About 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine

2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62258815) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62258815
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3/c1-8-17(7,13-18-15(2)3)14-19-9-11-20(12-10-19)16(4,5)6/h15,18H,8-14H2,1-7H3
InChIKeyVYHDLQDCKDOIBX-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine (CID 62258815) is 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is CCC(C)(CNC(C)C)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VYHDLQDCKDOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-8-17(7,13-18-15(2)3)14-19-9-11-20(12-10-19)16(4,5)6/h15,18H,8-14H2,1-7H3.
What are the key properties of 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine?
2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62258815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).