5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine

C14H31N3 — CID 55072251

IUPAC5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine
SMILESCNCCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-14(2,3)17-12-10-16(11-13-17)9-7-5-6-8-15-4/h15H,5-13H2,1-4H3
InChIKeyOZUHHJCMAQOENG-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds6

About 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine

5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine (PubChem CID 55072251) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine
PubChem CID55072251
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine
SMILESCNCCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-14(2,3)17-12-10-16(11-13-17)9-7-5-6-8-15-4/h15H,5-13H2,1-4H3
InChIKeyOZUHHJCMAQOENG-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
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

3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
CID 164817602
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
1-tert-butyl-4-(7-methyloctyl)piperazine
CID 138467260
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
ethane;N-methyl-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]hexan-1-amine
CID 165146040
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine?
The IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine (CID 55072251) is 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine is CNCCCCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine?
The InChIKey is OZUHHJCMAQOENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2,3)17-12-10-16(11-13-17)9-7-5-6-8-15-4/h15H,5-13H2,1-4H3.
What are the key properties of 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine?
5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperazin-1-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 55072251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).