N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine

C13H29N3 — CID 114537886

IUPACN-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCC(CN1CC(C)N(C)C(C)C1)NC
InChIInChI=1S/C13H29N3/c1-6-7-13(14-4)10-16-8-11(2)15(5)12(3)9-16/h11-14H,6-10H2,1-5H3
InChIKeyVCOHLLGXJJEUPR-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds5

About N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine

N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine (PubChem CID 114537886) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
PubChem CID114537886
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCCCC(CN1CC(C)N(C)C(C)C1)NC
InChIInChI=1S/C13H29N3/c1-6-7-13(14-4)10-16-8-11(2)15(5)12(3)9-16/h11-14H,6-10H2,1-5H3
InChIKeyVCOHLLGXJJEUPR-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-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
CID 66391107
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
CID 62042082
1-(4-methoxypiperidin-1-yl)-N-methylpentan-2-amine
CID 62042280
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
CID 114537771
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
CID 114547111
1-(3-methoxypiperidin-1-yl)-N-methylpentan-2-amine
CID 102965544
4-methyl-1-[2-(methylamino)pentyl]pyrrolidin-2-one
CID 63104073

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine (CID 114537886) is N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine is CCCC(CN1CC(C)N(C)C(C)C1)NC.
What is the InChIKey of N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The InChIKey is VCOHLLGXJJEUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-7-13(14-4)10-16-8-11(2)15(5)12(3)9-16/h11-14H,6-10H2,1-5H3.
What are the key properties of N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-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-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 114537886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).