N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

C13H29N3 — CID 114539596

IUPACN,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCNCC(C)(C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-11-7-16(8-12(2)15(11)6)10-13(3,4)9-14-5/h11-12,14H,7-10H2,1-6H3
InChIKeyFOXNOJGXJJFFAF-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds4

About N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (PubChem CID 114539596) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
PubChem CID114539596
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCNCC(C)(C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-11-7-16(8-12(2)15(11)6)10-13(3,4)9-14-5/h11-12,14H,7-10H2,1-6H3
InChIKeyFOXNOJGXJJFFAF-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-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,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine
CID 114539716
1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
CID 112629123
N-[2-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butyl]cyclopropanamine
CID 114539578
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804
methyl 2-amino-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539439
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986
methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539267
2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539436
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104960598
2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
CID 114540881

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (CID 114539596) is N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is CNCC(C)(C)CN1CC(C)N(C)C(C)C1.
What is the InChIKey of N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The InChIKey is FOXNOJGXJJFFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11-7-16(8-12(2)15(11)6)10-13(3,4)9-14-5/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 114539596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).