4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

C13H26N2 — CID 114460274

IUPAC4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCC(C)(C)C1=CCN(CCCCN)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)12-6-10-15(11-7-12)9-5-4-8-14/h6H,4-5,7-11,14H2,1-3H3
InChIKeyMMGZMYYCLSGXBT-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.40
Rot. Bonds4

About 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (PubChem CID 114460274) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
PubChem CID114460274
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCC(C)(C)C1=CCN(CCCCN)CC1
InChIInChI=1S/C13H26N2/c1-13(2,3)12-6-10-15(11-7-12)9-5-4-8-14/h6H,4-5,7-11,14H2,1-3H3
InChIKeyMMGZMYYCLSGXBT-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
4-Tert-butyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 71757335
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
4-tert-Butyl-1,2,3,6-tetrahydropyridine
CID 21519703
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
2-Fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-amine
CID 105431027
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105431028
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105435260
2,2-dimethyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 106708249

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (CID 114460274) is 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is CC(C)(C)C1=CCN(CCCCN)CC1.
What is the InChIKey of 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The InChIKey is MMGZMYYCLSGXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)12-6-10-15(11-7-12)9-5-4-8-14/h6H,4-5,7-11,14H2,1-3H3.
What are the key properties of 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 114460274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).