N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine

C15H33N3 — CID 114540096

IUPACN-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
SMILESCC(CCNC(C)(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H33N3/c1-12(8-9-16-15(4,5)6)18-10-13(2)17(7)14(3)11-18/h12-14,16H,8-11H2,1-7H3
InChIKeyALSUSXCHJZGNCX-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds4

About N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine

N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine (PubChem CID 114540096) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
PubChem CID114540096
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
SMILESCC(CCNC(C)(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H33N3/c1-12(8-9-16-15(4,5)6)18-10-13(2)17(7)14(3)11-18/h12-14,16H,8-11H2,1-7H3
InChIKeyALSUSXCHJZGNCX-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437982
N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
CID 55069814
N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
CID 103539948
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
N-tert-butyl-3-(2,3-dimethylpiperidin-1-yl)butan-1-amine
CID 62413689
3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
CID 114540686
4-(4-butan-2-ylpiperazin-1-yl)-N-tert-butylpentan-1-amine
CID 62774850
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539433
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382
N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine
CID 114540357

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine (CID 114540096) is N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine is CC(CCNC(C)(C)C)N1CC(C)N(C)C(C)C1.
What is the InChIKey of N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
The InChIKey is ALSUSXCHJZGNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-12(8-9-16-15(4,5)6)18-10-13(2)17(7)14(3)11-18/h12-14,16H,8-11H2,1-7H3.
What are the key properties of N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine?
N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 114540096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).