4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine

C10H20N2 — CID 155635700

IUPAC4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCNN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2/c1-10(2,3)9-5-7-12(11-4)8-6-9/h5,11H,6-8H2,1-4H3
InChIKeyODVOVGGFGIKNBI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.80
Rot. Bonds1

About 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine

4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine (PubChem CID 155635700) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine
PubChem CID155635700
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCNN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2/c1-10(2,3)9-5-7-12(11-4)8-6-9/h5,11H,6-8H2,1-4H3
InChIKeyODVOVGGFGIKNBI-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine
CID 89419044
4-ethyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine
CID 123255221
N-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-1-amine
CID 163796013
5-tert-butyl-2-methyl-3,6-dihydro-1H-pyridazine
CID 170083369
2-Methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
CID 105430187
2-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105433953
2,2-dimethyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106708248
4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylbutan-1-amine
CID 113588648
4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 114460274
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropan-1-amine
CID 114460368
5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114460412
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine
CID 114460425

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine (CID 155635700) is 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine is CNN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine?
The InChIKey is ODVOVGGFGIKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2,3)9-5-7-12(11-4)8-6-9/h5,11H,6-8H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine?
4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-3,6-dihydro-2H-pyridin-1-amine is sourced from PubChem (CID 155635700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).