N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine

C13H22N2 — CID 81022456

IUPACN-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine
SMILESCCNCCC(C)(C)Cc1ccncc1
InChIInChI=1S/C13H22N2/c1-4-14-10-7-13(2,3)11-12-5-8-15-9-6-12/h5-6,8-9,14H,4,7,10-11H2,1-3H3
InChIKeyHFPIDKWIEOOHDH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds6

About N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine

N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine (PubChem CID 81022456) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine
PubChem CID81022456
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine
SMILESCCNCCC(C)(C)Cc1ccncc1
InChIInChI=1S/C13H22N2/c1-4-14-10-7-13(2,3)11-12-5-8-15-9-6-12/h5-6,8-9,14H,4,7,10-11H2,1-3H3
InChIKeyHFPIDKWIEOOHDH-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpropyl)pyridine
CID 22960904
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
2-methyl-4-(2-pyridin-4-ylethylamino)butan-2-ol
CID 79359431
2-methyl-1-pyridin-4-ylpropan-2-amine;hydrochloride
CID 141017506
N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
CID 81033423
3-(2,2-dimethylpropyl)-5-(2,2-dimethyl-3-pyridin-4-ylpropyl)pyridine
CID 167168782
N-ethyl-3,3-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66260373
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
2-tert-butylsulfanyl-N-(pyridin-4-ylmethyl)ethanamine
CID 115614501
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 62431481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine (CID 81022456) is N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine is CCNCCC(C)(C)Cc1ccncc1.
What is the InChIKey of N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine?
The InChIKey is HFPIDKWIEOOHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-14-10-7-13(2,3)11-12-5-8-15-9-6-12/h5-6,8-9,14H,4,7,10-11H2,1-3H3.
What are the key properties of N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine?
N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine is sourced from PubChem (CID 81022456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).