4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine

C12H27N3 — CID 65246838

IUPAC4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC1CN(CCC(C)(C)CN)CCN1C
InChIInChI=1S/C12H27N3/c1-11-9-15(8-7-14(11)4)6-5-12(2,3)10-13/h11H,5-10,13H2,1-4H3
InChIKeyKCWDLHULFREBSS-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds4

About 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine

4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65246838) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID65246838
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC1CN(CCC(C)(C)CN)CCN1C
InChIInChI=1S/C12H27N3/c1-11-9-15(8-7-14(11)4)6-5-12(2,3)10-13/h11H,5-10,13H2,1-4H3
InChIKeyKCWDLHULFREBSS-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine (CID 65246838) is 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine is CC1CN(CCC(C)(C)CN)CCN1C.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is KCWDLHULFREBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11-9-15(8-7-14(11)4)6-5-12(2,3)10-13/h11H,5-10,13H2,1-4H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine?
4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65246838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).