N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine

C15H33N3 — CID 114087794

IUPACN-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine
SMILESCC1CN(C)CCN1CCCCCNC(C)(C)C
InChIInChI=1S/C15H33N3/c1-14-13-17(5)11-12-18(14)10-8-6-7-9-16-15(2,3)4/h14,16H,6-13H2,1-5H3
InChIKeyMXAVAYAZUZNIAD-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds6

About N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine

N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine (PubChem CID 114087794) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine
PubChem CID114087794
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine
SMILESCC1CN(C)CCN1CCCCCNC(C)(C)C
InChIInChI=1S/C15H33N3/c1-14-13-17(5)11-12-18(14)10-8-6-7-9-16-15(2,3)4/h14,16H,6-13H2,1-5H3
InChIKeyMXAVAYAZUZNIAD-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine (CID 114087794) is N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine is CC1CN(C)CCN1CCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine?
The InChIKey is MXAVAYAZUZNIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14-13-17(5)11-12-18(14)10-8-6-7-9-16-15(2,3)4/h14,16H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine?
N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 114087794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).