3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine

C12H27N3 — CID 61430977

IUPAC3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H27N3/c1-12(2,3)15-10-8-14(9-11-15)7-5-6-13-4/h13H,5-11H2,1-4H3
InChIKeyCNJNLCMZDGBWBS-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds4

About 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine

3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine (PubChem CID 61430977) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
PubChem CID61430977
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H27N3/c1-12(2,3)15-10-8-14(9-11-15)7-5-6-13-4/h13H,5-11H2,1-4H3
InChIKeyCNJNLCMZDGBWBS-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine
CID 55072251
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
CID 164817602
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
1-tert-butyl-4-(7-methyloctyl)piperazine
CID 138467260
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 165403738
1-tert-butyl-4-propylpiperazine
CID 58721754
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine (CID 61430977) is 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine is CNCCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine?
The InChIKey is CNJNLCMZDGBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2,3)15-10-8-14(9-11-15)7-5-6-13-4/h13H,5-11H2,1-4H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine?
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 61430977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).