N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine

C13H29N3 — CID 115255725

IUPACN,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
SMILESCC(CN(C)CC(C)(C)C)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-12(16-8-6-14-7-9-16)10-15(5)11-13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyGWXSXTLFMSFBAA-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds4

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

N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine (PubChem CID 115255725) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
PubChem CID115255725
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
SMILESCC(CN(C)CC(C)(C)C)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-12(16-8-6-14-7-9-16)10-15(5)11-13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyGWXSXTLFMSFBAA-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine
CID 116913945
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255751
1-(1-iodopropan-2-yl)piperazine
CID 69349965
N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 115255740
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine
CID 115240395
N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
CID 164863385
N,N-dimethyl-5-piperazin-1-ylhexan-3-amine
CID 116913942
1-[(2S)-1-(2-methoxypropan-2-yloxy)propan-2-yl]-1,4,7,10-tetrazacyclododecane
CID 166723382
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine (CID 115255725) is N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine is CC(CN(C)CC(C)(C)C)N1CCNCC1.
What is the InChIKey of N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine?
The InChIKey is GWXSXTLFMSFBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(16-8-6-14-7-9-16)10-15(5)11-13(2,3)4/h12,14H,6-11H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine?
N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 4 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-(2-piperazin-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 115255725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).