4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine

C15H33N3 — CID 63619609

IUPAC4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCN(C)C(C)C1
InChIInChI=1S/C15H33N3/c1-13(2)11-16-8-6-7-14(3)18-10-9-17(5)15(4)12-18/h13-16H,6-12H2,1-5H3
InChIKeyFKUCSSJZMQLTFZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

About 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine

4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63619609) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID63619609
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCN(C)C(C)C1
InChIInChI=1S/C15H33N3/c1-13(2)11-16-8-6-7-14(3)18-10-9-17(5)15(4)12-18/h13-16H,6-12H2,1-5H3
InChIKeyFKUCSSJZMQLTFZ-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine
CID 81194990
4-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070458
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070119
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62439790
N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62434416
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
CID 63621134
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine
CID 81469439
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 65324377
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine (CID 63619609) is 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)N1CCN(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is FKUCSSJZMQLTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-13(2)11-16-8-6-7-14(3)18-10-9-17(5)15(4)12-18/h13-16H,6-12H2,1-5H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine?
4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63619609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).