N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine

C17H30N2 — CID 134488813

IUPACN-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)Cc1ccc(CCCNC(C)(C)C)cn1
InChIInChI=1S/C17H30N2/c1-16(2,3)12-15-10-9-14(13-18-15)8-7-11-19-17(4,5)6/h9-10,13,19H,7-8,11-12H2,1-6H3
InChIKeyHVVOTKZQJOPDJC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.99
Rot. Bonds5

About N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine

N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine (PubChem CID 134488813) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine
PubChem CID134488813
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)Cc1ccc(CCCNC(C)(C)C)cn1
InChIInChI=1S/C17H30N2/c1-16(2,3)12-15-10-9-14(13-18-15)8-7-11-19-17(4,5)6/h9-10,13,19H,7-8,11-12H2,1-6H3
InChIKeyHVVOTKZQJOPDJC-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-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-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
CID 113410445
N-[2-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 175752514
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
5-(2,2-dimethylpropyl)-2-(3-methylbutyl)pyridine
CID 146228113
2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyridine);bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);N-tert-butyl-4,4-dimethylpentan-1-amine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrazine;3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyrimidine
CID 160751136
2-methyl-N-[3-(4-phenylmethoxyphenyl)propyl]propan-2-amine
CID 56995593
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine
CID 62719497
N-ethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64503028

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine (CID 134488813) is N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine is CC(C)(C)Cc1ccc(CCCNC(C)(C)C)cn1.
What is the InChIKey of N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine?
The InChIKey is HVVOTKZQJOPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-16(2,3)12-15-10-9-14(13-18-15)8-7-11-19-17(4,5)6/h9-10,13,19H,7-8,11-12H2,1-6H3.
What are the key properties of N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine?
N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 134488813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).