N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine

C14H31N3 — CID 116913945

IUPACN,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine
SMILESCC(CC(N(C)C)C(C)(C)C)N1CCNCC1
InChIInChI=1S/C14H31N3/c1-12(17-9-7-15-8-10-17)11-13(16(5)6)14(2,3)4/h12-13,15H,7-11H2,1-6H3
InChIKeySINMFAYKIAMRQB-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds4

About N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine

N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine (PubChem CID 116913945) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine
PubChem CID116913945
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine
SMILESCC(CC(N(C)C)C(C)(C)C)N1CCNCC1
InChIInChI=1S/C14H31N3/c1-12(17-9-7-15-8-10-17)11-13(16(5)6)14(2,3)4/h12-13,15H,7-11H2,1-6H3
InChIKeySINMFAYKIAMRQB-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

N,N-dimethyl-5-piperazin-1-ylhexan-3-amine
CID 116913942
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
CID 115255725
N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
CID 164863385
1-(1-iodopropan-2-yl)piperazine
CID 69349965
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
1-[(2S)-1-(2-methoxypropan-2-yloxy)propan-2-yl]-1,4,7,10-tetrazacyclododecane
CID 166723382
N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine
CID 116914005
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
CID 61324971

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine?
The IUPAC name of N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine (CID 116913945) is N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine?
The canonical SMILES for N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine is CC(CC(N(C)C)C(C)(C)C)N1CCNCC1.
What is the InChIKey of N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine?
The InChIKey is SINMFAYKIAMRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(17-9-7-15-8-10-17)11-13(16(5)6)14(2,3)4/h12-13,15H,7-11H2,1-6H3.
What are the key properties of N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine?
N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine is sourced from PubChem (CID 116913945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).