N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine

C21H45N3 — CID 164817602

IUPACN-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
SMILESCC(C)(C)NCCCCCCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H45N3/c1-20(2,3)22-14-12-10-8-7-9-11-13-15-23-16-18-24(19-17-23)21(4,5)6/h22H,7-19H2,1-6H3
InChIKeyGMHXQBIIOHSJPF-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.52
Rot. Bonds10

About N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine

N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine (PubChem CID 164817602) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
PubChem CID164817602
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC NameN-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine
SMILESCC(C)(C)NCCCCCCCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H45N3/c1-20(2,3)22-14-12-10-8-7-9-11-13-15-23-16-18-24(19-17-23)21(4,5)6/h22H,7-19H2,1-6H3
InChIKeyGMHXQBIIOHSJPF-UHFFFAOYSA-N
XLogP4.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.52
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
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238299
1-tert-butyl-4-(7-methyloctyl)piperazine
CID 138467260
N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
CID 55070235
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
N-tert-butyl-4-(3,4-dimethylpyrrolidin-1-yl)butan-1-amine
CID 79184508
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butylhexan-1-amine
CID 79945206
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine?
The IUPAC name of N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine (CID 164817602) is N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine.
What is the SMILES notation for N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine?
The canonical SMILES for N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine is CC(C)(C)NCCCCCCCCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine?
The InChIKey is GMHXQBIIOHSJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3/c1-20(2,3)22-14-12-10-8-7-9-11-13-15-23-16-18-24(19-17-23)21(4,5)6/h22H,7-19H2,1-6H3.
What are the key properties of N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine?
N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine has a molecular weight of 339.61 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-(4-tert-butylpiperazin-1-yl)nonan-1-amine is sourced from PubChem (CID 164817602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).