1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine

C14H31N3 — CID 60851538

IUPAC1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCCNC(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-14(2,3)15-9-6-10-17-11-7-13(8-12-17)16(4)5/h13,15H,6-12H2,1-5H3
InChIKeyDGXVQNDLQQUACE-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds5

About 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine

1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 60851538) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine
PubChem CID60851538
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CCCNC(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-14(2,3)15-9-6-10-17-11-7-13(8-12-17)16(4)5/h13,15H,6-12H2,1-5H3
InChIKeyDGXVQNDLQQUACE-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-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-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
N-tert-butyl-5-(4-methylsulfanylpiperidin-1-yl)pentan-1-amine
CID 114238299
5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
1-[3-(tert-butylamino)propyl]-3-methylpiperidin-4-ol
CID 114681079
N-tert-butyl-4-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63977571
1-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62433914
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-2-amine
CID 63609125

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine (CID 60851538) is 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CCCNC(C)(C)C)CC1.
What is the InChIKey of 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is DGXVQNDLQQUACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2,3)15-9-6-10-17-11-7-13(8-12-17)16(4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine?
1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)propyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 60851538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).