N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine

C14H31N3 — CID 115240395

IUPACN,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine
SMILESCN(CCCCN1CCNCC1)CC(C)(C)C
InChIInChI=1S/C14H31N3/c1-14(2,3)13-16(4)9-5-6-10-17-11-7-15-8-12-17/h15H,5-13H2,1-4H3
InChIKeyMMRMCEQFDNRBEX-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine

N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine (PubChem CID 115240395) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine
PubChem CID115240395
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine
SMILESCN(CCCCN1CCNCC1)CC(C)(C)C
InChIInChI=1S/C14H31N3/c1-14(2,3)13-16(4)9-5-6-10-17-11-7-15-8-12-17/h15H,5-13H2,1-4H3
InChIKeyMMRMCEQFDNRBEX-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
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

N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
CID 170390265
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
N-[dimethyl(3-piperazin-1-ylpropyl)silyl]-N-methylmethanamine
CID 174067282
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
1-tricosylpiperazine
CID 130183651
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
ethane;1-octylpiperazine
CID 144711845

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine (CID 115240395) is N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine is CN(CCCCN1CCNCC1)CC(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine?
The InChIKey is MMRMCEQFDNRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2,3)13-16(4)9-5-6-10-17-11-7-15-8-12-17/h15H,5-13H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine?
N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine is sourced from PubChem (CID 115240395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).