N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine

C13H29N3 — CID 63609125

IUPACN-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCC1CN(CCCNC(C)(C)C)CCN1C
InChIInChI=1S/C13H29N3/c1-12-11-16(10-9-15(12)5)8-6-7-14-13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyZWCJSZOMVVKGHE-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds4

About N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine

N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 63609125) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID63609125
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
SMILESCC1CN(CCCNC(C)(C)C)CCN1C
InChIInChI=1S/C13H29N3/c1-12-11-16(10-9-15(12)5)8-6-7-14-13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyZWCJSZOMVVKGHE-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

Analyze N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
CID 114681079
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60851499
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
4-(4-chlorobutyl)-1,2-dimethylpiperazine
CID 63635546
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
N-tert-butyl-4-(3,4-dimethylpyrrolidin-1-yl)butan-1-amine
CID 79184508
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 63635242
N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
CID 63635318
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine (CID 63609125) is N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine is CC1CN(CCCNC(C)(C)C)CCN1C.
What is the InChIKey of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is ZWCJSZOMVVKGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12-11-16(10-9-15(12)5)8-6-7-14-13(2,3)4/h12,14H,6-11H2,1-5H3.
What are the key properties of N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine?
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63609125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).