1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine

C14H32N4 — CID 67575978

IUPAC1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine
SMILESCC1CN(CC(C)(C)N)C(C)CN1CC(C)(C)N
InChIInChI=1S/C14H32N4/c1-11-7-18(10-14(5,6)16)12(2)8-17(11)9-13(3,4)15/h11-12H,7-10,15-16H2,1-6H3
InChIKeyXJFHRKFQNIRZFY-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.86
Rot. Bonds4

About 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine

1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine (PubChem CID 67575978) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine
PubChem CID67575978
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine
SMILESCC1CN(CC(C)(C)N)C(C)CN1CC(C)(C)N
InChIInChI=1S/C14H32N4/c1-11-7-18(10-14(5,6)16)12(2)8-17(11)9-13(3,4)15/h11-12H,7-10,15-16H2,1-6H3
InChIKeyXJFHRKFQNIRZFY-UHFFFAOYSA-N
XLogP0.86
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine (CID 67575978) is 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine is CC1CN(CC(C)(C)N)C(C)CN1CC(C)(C)N.
What is the InChIKey of 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine?
The InChIKey is XJFHRKFQNIRZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-11-7-18(10-14(5,6)16)12(2)8-17(11)9-13(3,4)15/h11-12H,7-10,15-16H2,1-6H3.
What are the key properties of 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine?
1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine has a molecular weight of 256.44 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 67575978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).