[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine

C12H20N2 — CID 142361308

IUPAC[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)CCc1cncc(CN)c1
InChIInChI=1S/C12H20N2/c1-12(2,3)5-4-10-6-11(7-13)9-14-8-10/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeyDRUYCEQDZLLFOT-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.52
Rot. Bonds3

About [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine

[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine (PubChem CID 142361308) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine
PubChem CID142361308
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)CCc1cncc(CN)c1
InChIInChI=1S/C12H20N2/c1-12(2,3)5-4-10-6-11(7-13)9-14-8-10/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeyDRUYCEQDZLLFOT-UHFFFAOYSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5-(3,3-dimethylbutyl)pyridine
CID 139460121
[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
CID 142361247
3-(2,2-dimethylpropyl)-5-propylpyridine
CID 129191291
5-(aminomethyl)-N,N-dimethylpyridin-3-amine
CID 59570189
6-(3,3-dimethylbutyl)pyrazin-2-amine
CID 59238418
1-[5-(aminomethyl)-3-pyridinyl]butan-2-amine
CID 170890843
2-(3,3-dimethylbutyl)-6-methylpyrazine
CID 142360846
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
N-[[5-(aminomethyl)-3-pyridinyl]methyl]-N-methylpropan-1-amine
CID 165449038
N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline
CID 105466966

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine (CID 142361308) is [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine is CC(C)(C)CCc1cncc(CN)c1.
What is the InChIKey of [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine?
The InChIKey is DRUYCEQDZLLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)5-4-10-6-11(7-13)9-14-8-10/h6,8-9H,4-5,7,13H2,1-3H3.
What are the key properties of [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine?
[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine has a molecular weight of 192.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 142361308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).