N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine

C16H35N3O — CID 170390265

IUPACN-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
SMILESCN(CCCCN1CCNCC1)CCCOC(C)(C)C
InChIInChI=1S/C16H35N3O/c1-16(2,3)20-15-7-11-18(4)10-5-6-12-19-13-8-17-9-14-19/h17H,5-15H2,1-4H3
InChIKeyXBTPVRRWIAQMEZ-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.81
Rot. Bonds9

About N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine

N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine (PubChem CID 170390265) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
PubChem CID170390265
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
SMILESCN(CCCCN1CCNCC1)CCCOC(C)(C)C
InChIInChI=1S/C16H35N3O/c1-16(2,3)20-15-7-11-18(4)10-5-6-12-19-13-8-17-9-14-19/h17H,5-15H2,1-4H3
InChIKeyXBTPVRRWIAQMEZ-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine
CID 115240395
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
3-[3-methoxypropyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62985898

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine?
The IUPAC name of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine (CID 170390265) is N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine.
What is the SMILES notation for N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine?
The canonical SMILES for N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine is CN(CCCCN1CCNCC1)CCCOC(C)(C)C.
What is the InChIKey of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine?
The InChIKey is XBTPVRRWIAQMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-16(2,3)20-15-7-11-18(4)10-5-6-12-19-13-8-17-9-14-19/h17H,5-15H2,1-4H3.
What are the key properties of N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine?
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine is sourced from PubChem (CID 170390265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).