N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine

C17H37N3 — CID 63635318

IUPACN-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CCN(C)C(C)C1
InChIInChI=1S/C17H37N3/c1-8-9-17(6,13-18-16(3,4)5)14-20-11-10-19(7)15(2)12-20/h15,18H,8-14H2,1-7H3
InChIKeyYMNUTEOXLJGNEI-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds6

About N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine

N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine (PubChem CID 63635318) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
PubChem CID63635318
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CCN(C)C(C)C1
InChIInChI=1S/C17H37N3/c1-8-9-17(6,13-18-16(3,4)5)14-20-11-10-19(7)15(2)12-20/h15,18H,8-14H2,1-7H3
InChIKeyYMNUTEOXLJGNEI-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-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-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
CID 79184023
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125
N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 62257332
1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol
CID 103358630
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
CID 63621256
N-tert-butyl-2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-amine
CID 102886565
N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine
CID 62260271
2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62271911

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine (CID 63635318) is N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CNC(C)(C)C)CN1CCN(C)C(C)C1.
What is the InChIKey of N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is YMNUTEOXLJGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-8-9-17(6,13-18-16(3,4)5)14-20-11-10-19(7)15(2)12-20/h15,18H,8-14H2,1-7H3.
What are the key properties of N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine?
N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 63635318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).