N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine

C13H29N3 — CID 116914005

IUPACN,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine
SMILESCCCC(N(C)C)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-6-7-12(15(4)5)13(2,3)16-10-8-14-9-11-16/h12,14H,6-11H2,1-5H3
InChIKeyKTULLKWYNONRIL-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds5

About N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine

N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine (PubChem CID 116914005) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine
PubChem CID116914005
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine
SMILESCCCC(N(C)C)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H29N3/c1-6-7-12(15(4)5)13(2,3)16-10-8-14-9-11-16/h12,14H,6-11H2,1-5H3
InChIKeyKTULLKWYNONRIL-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
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-butan-2-yl-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551253
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
1-(2-methyl-1-propylsulfanylpropan-2-yl)piperazine
CID 117035745
N,N,2-trimethyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116914016
1,1,1-trifluoro-N,N-dimethylpentan-2-amine
CID 116914306
2-methyl-1-(1-methylpyrrolidin-3-yl)-2-piperazin-1-ylpropan-1-amine
CID 116946834
1-(2,6-dimethylheptan-2-yl)piperazine
CID 116931981
N,4-dimethyl-N-(2-methyl-2-piperazin-1-ylpropyl)pentan-1-amine
CID 115255871
N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
CID 171276178

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine?
The IUPAC name of N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine (CID 116914005) is N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine.
What is the SMILES notation for N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine?
The canonical SMILES for N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine is CCCC(N(C)C)C(C)(C)N1CCNCC1.
What is the InChIKey of N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine?
The InChIKey is KTULLKWYNONRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-7-12(15(4)5)13(2,3)16-10-8-14-9-11-16/h12,14H,6-11H2,1-5H3.
What are the key properties of N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine?
N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine is sourced from PubChem (CID 116914005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).