N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine

C13H26N2 — CID 115616300

IUPACN-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-5-8-15-9-6-12(7-10-15)14-11-13(2,3)4/h5,12,14H,1,6-11H2,2-4H3
InChIKeyFLCHLLCDBQEADU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds4

About N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine

N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine (PubChem CID 115616300) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine
PubChem CID115616300
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2/c1-5-8-15-9-6-12(7-10-15)14-11-13(2,3)4/h5,12,14H,1,6-11H2,2-4H3
InChIKeyFLCHLLCDBQEADU-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-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-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
1-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine
CID 61325567
1-(3-methylbut-2-enyl)-N-prop-2-enylpiperidin-4-amine
CID 43755403
N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717902
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
N-(1-methoxypropan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717917
N-(2-methyloxolan-3-yl)-1-prop-2-enylpiperidin-4-amine
CID 115751312
2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
1-(2,2-dimethylpropyl)-N-methylpiperidin-4-amine
CID 59679434
N-(2,2-dimethylpropyl)-4,4-dimethylcyclohexan-1-amine
CID 58172158
N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine
CID 115616302

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine (CID 115616300) is N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine is C=CCN1CCC(NCC(C)(C)C)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine?
The InChIKey is FLCHLLCDBQEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-8-15-9-6-12(7-10-15)14-11-13(2,3)4/h5,12,14H,1,6-11H2,2-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine?
N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 115616300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).