N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine

C15H33N3 — CID 172516835

IUPACN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H33N3/c1-14(2)13-16(6)7-8-17-9-11-18(12-10-17)15(3,4)5/h14H,7-13H2,1-6H3
InChIKeyBUNJHDNJDVZHTN-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine

N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine (PubChem CID 172516835) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine
PubChem CID172516835
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H33N3/c1-14(2)13-16(6)7-8-17-9-11-18(12-10-17)15(3,4)5/h14H,7-13H2,1-6H3
InChIKeyBUNJHDNJDVZHTN-UHFFFAOYSA-N
XLogP1.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(7-methyloctyl)piperazine
CID 138467260
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178
1-tert-butyl-4-propylpiperazine
CID 58721754
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206956
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-1-amine;N-methylpropan-1-amine
CID 155707617
1-tert-butyl-3-(2-methylpropyl)imidazolidine
CID 130368535
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;N-[(4-tert-butylpiperazin-1-yl)methyl]-N,4,4-trimethylpent-2-yn-1-amine
CID 161481124
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine (CID 172516835) is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine?
The InChIKey is BUNJHDNJDVZHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14(2)13-16(6)7-8-17-9-11-18(12-10-17)15(3,4)5/h14H,7-13H2,1-6H3.
What are the key properties of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine?
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 172516835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).