5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine

C14H28N2 — CID 114460412

IUPAC5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
SMILESCC(C)(C)C1=CCN(CCCCCN)CC1
InChIInChI=1S/C14H28N2/c1-14(2,3)13-7-11-16(12-8-13)10-6-4-5-9-15/h7H,4-6,8-12,15H2,1-3H3
InChIKeyIRKNMXAIPKQNBU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.79
Rot. Bonds5

About 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine

5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine (PubChem CID 114460412) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
PubChem CID114460412
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
SMILESCC(C)(C)C1=CCN(CCCCCN)CC1
InChIInChI=1S/C14H28N2/c1-14(2,3)13-7-11-16(12-8-13)10-6-4-5-9-15/h7H,4-6,8-12,15H2,1-3H3
InChIKeyIRKNMXAIPKQNBU-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.79
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 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
The IUPAC name of 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine (CID 114460412) is 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine.
What is the SMILES notation for 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
The canonical SMILES for 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine is CC(C)(C)C1=CCN(CCCCCN)CC1.
What is the InChIKey of 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
The InChIKey is IRKNMXAIPKQNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,3)13-7-11-16(12-8-13)10-6-4-5-9-15/h7H,4-6,8-12,15H2,1-3H3.
What are the key properties of 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine?
5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine is sourced from PubChem (CID 114460412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).