N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine

C14H31N3 — CID 62776257

IUPACN,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
SMILESCNCC(C(C)C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-12(2)11-16-6-8-17(9-7-16)14(10-15-5)13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyUYWJHDVPWZELIY-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.50
Rot. Bonds6

About N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine

N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine (PubChem CID 62776257) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
PubChem CID62776257
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
SMILESCNCC(C(C)C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C14H31N3/c1-12(2)11-16-6-8-17(9-7-16)14(10-15-5)13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyUYWJHDVPWZELIY-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butan-2-ylpiperazin-1-yl)-N,3-dimethylbutan-1-amine
CID 62775232
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
CID 62776737
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
CID 62778147
N,3-dimethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-amine
CID 102746082
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
CID 64727115

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine (CID 62776257) is N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine is CNCC(C(C)C)N1CCN(CC(C)C)CC1.
What is the InChIKey of N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The InChIKey is UYWJHDVPWZELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)11-16-6-8-17(9-7-16)14(10-15-5)13(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 62776257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).