4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine

C14H30N2 — CID 62084191

IUPAC4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)13-7-11-16(12-8-13)10-6-5-9-15-4/h13,15H,5-12H2,1-4H3
InChIKeyIVRFXCJQBZBCEB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine

4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine (PubChem CID 62084191) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
PubChem CID62084191
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-14(2,3)13-7-11-16(12-8-13)10-6-5-9-15-4/h13,15H,5-12H2,1-4H3
InChIKeyIVRFXCJQBZBCEB-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-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

CID 31169
CID 31169
CID 43199381
CID 43199381
CID 74661
CID 74661
CID 81574
CID 81574
CID 3149264
CID 3149264
CID 140569
CID 140569
CID 541786
CID 541786
CID 6487611
CID 6487611
CID 64434666
CID 64434666
CID 20713888
CID 20713888
CID 1415681
CID 1415681
CID 33069
CID 33069

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine (CID 62084191) is 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine is CNCCCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine?
The InChIKey is IVRFXCJQBZBCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)13-7-11-16(12-8-13)10-6-5-9-15-4/h13,15H,5-12H2,1-4H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine?
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 62084191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).