5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine

C18H39N3 — CID 167254513

IUPAC5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine
SMILESCC(C)NC(C)(C)CCC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H39N3/c1-15(2)19-18(7,8)10-9-16(3)20-11-13-21(14-12-20)17(4,5)6/h15-16,19H,9-14H2,1-8H3
InChIKeyDRDXFWNISPFDTE-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.35
Rot. Bonds6

About 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine

5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine (PubChem CID 167254513) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine
PubChem CID167254513
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine
SMILESCC(C)NC(C)(C)CCC(C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H39N3/c1-15(2)19-18(7,8)10-9-16(3)20-11-13-21(14-12-20)17(4,5)6/h15-16,19H,9-14H2,1-8H3
InChIKeyDRDXFWNISPFDTE-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62463195
4-(4-tert-butylpiperazin-1-yl)pentan-1-amine
CID 62463192
N-[2-(4-tert-butylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62463018
1-tert-butyl-4-[1-[5-[4-(1-tert-butylazetidin-3-yl)piperazin-1-yl]-2,2-dimethylhexyl]azetidin-3-yl]piperazine
CID 135279303
N-[2-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 55072104
2-(4-tert-butylpiperazin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569252
methyl 2-amino-4-(4-tert-butylpiperazin-1-yl)-2-methylpentanoate
CID 64709909
4-[4-[2-(tert-butylamino)-2-methylpropyl]piperazin-1-yl]-2-methyl-N-propan-2-ylbutan-2-amine
CID 129101606
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine
CID 129100137
N-tert-butyl-2-[5-methyl-5-(propan-2-ylamino)hexan-2-yl]oxyacetamide
CID 167107053

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine?
The IUPAC name of 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine (CID 167254513) is 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine is CC(C)NC(C)(C)CCC(C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine?
The InChIKey is DRDXFWNISPFDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-15(2)19-18(7,8)10-9-16(3)20-11-13-21(14-12-20)17(4,5)6/h15-16,19H,9-14H2,1-8H3.
What are the key properties of 5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine?
5-(4-tert-butylpiperazin-1-yl)-2-methyl-N-propan-2-ylhexan-2-amine has a molecular weight of 297.53 g/mol, XLogP of 3.35, 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)-2-methyl-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 167254513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).