N,N-dimethyl-5-piperazin-1-ylhexan-3-amine

C12H27N3 — CID 116913942

IUPACN,N-dimethyl-5-piperazin-1-ylhexan-3-amine
SMILESCCC(CC(C)N1CCNCC1)N(C)C
InChIInChI=1S/C12H27N3/c1-5-12(14(3)4)10-11(2)15-8-6-13-7-9-15/h11-13H,5-10H2,1-4H3
InChIKeyYBOKWYPFQJQDHX-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About N,N-dimethyl-5-piperazin-1-ylhexan-3-amine

N,N-dimethyl-5-piperazin-1-ylhexan-3-amine (PubChem CID 116913942) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-dimethyl-5-piperazin-1-ylhexan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-piperazin-1-ylhexan-3-amine
PubChem CID116913942
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,N-dimethyl-5-piperazin-1-ylhexan-3-amine
SMILESCCC(CC(C)N1CCNCC1)N(C)C
InChIInChI=1S/C12H27N3/c1-5-12(14(3)4)10-11(2)15-8-6-13-7-9-15/h11-13H,5-10H2,1-4H3
InChIKeyYBOKWYPFQJQDHX-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
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
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
1-(1-iodopropan-2-yl)piperazine
CID 69349965
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-heptan-2-ylpiperazine
CID 61464712
N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
CID 115255725
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-(1-fluoropropyl)piperazine
CID 91569783
1-(1-bromopropyl)piperazine
CID 135292234

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-piperazin-1-ylhexan-3-amine?
The IUPAC name of N,N-dimethyl-5-piperazin-1-ylhexan-3-amine (CID 116913942) is N,N-dimethyl-5-piperazin-1-ylhexan-3-amine.
What is the SMILES notation for N,N-dimethyl-5-piperazin-1-ylhexan-3-amine?
The canonical SMILES for N,N-dimethyl-5-piperazin-1-ylhexan-3-amine is CCC(CC(C)N1CCNCC1)N(C)C.
What is the InChIKey of N,N-dimethyl-5-piperazin-1-ylhexan-3-amine?
The InChIKey is YBOKWYPFQJQDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-12(14(3)4)10-11(2)15-8-6-13-7-9-15/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-5-piperazin-1-ylhexan-3-amine?
N,N-dimethyl-5-piperazin-1-ylhexan-3-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-piperazin-1-ylhexan-3-amine is sourced from PubChem (CID 116913942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).