N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine

C21H45N3O — CID 155214987

IUPACN-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine
SMILESCC(CC(C)OC(C)(C)C)NC(C)C(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H45N3O/c1-16(15-17(2)25-21(8,9)10)22-18(3)19(4)23-11-13-24(14-12-23)20(5,6)7/h16-19,22H,11-15H2,1-10H3
InChIKeyHMGURNGYTOUJEY-UHFFFAOYSA-N
MW355.61 g/mol
LogP3.75
Rot. Bonds7

About N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine

N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine (PubChem CID 155214987) has the molecular formula C21H45N3O and a molecular weight of 355.61 g/mol. Its IUPAC name is N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine.

Molecular Properties

Compound NameN-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine
PubChem CID155214987
Molecular FormulaC21H45N3O
Molecular Weight355.61 g/mol
Exact Mass355.36
IUPAC NameN-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine
SMILESCC(CC(C)OC(C)(C)C)NC(C)C(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C21H45N3O/c1-16(15-17(2)25-21(8,9)10)22-18(3)19(4)23-11-13-24(14-12-23)20(5,6)7/h16-19,22H,11-15H2,1-10H3
InChIKeyHMGURNGYTOUJEY-UHFFFAOYSA-N
XLogP3.75
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-Methylpropan-2-yl)oxy]ethyl]piperazine
CID 21352264
N-[2-(4-methoxypiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 59472436
1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine
CID 70966971
1-(3-Methoxycyclobutyl)-3,3-dimethylpiperazine
CID 105851562
1-[2-Methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]piperazine
CID 123480216
N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine
CID 126654370
N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine
CID 126654839
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
CID 126671191
1-(4-Methoxypentan-2-yl)piperazine
CID 129131543
N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine
CID 134414533
3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
CID 134489417
4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine
CID 134582275

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The IUPAC name of N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine (CID 155214987) is N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine.
What is the SMILES notation for N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The canonical SMILES for N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine is CC(CC(C)OC(C)(C)C)NC(C)C(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
The InChIKey is HMGURNGYTOUJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3O/c1-16(15-17(2)25-21(8,9)10)22-18(3)19(4)23-11-13-24(14-12-23)20(5,6)7/h16-19,22H,11-15H2,1-10H3.
What are the key properties of N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine?
N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine has a molecular weight of 355.61 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine is sourced from PubChem (CID 155214987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).