5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine

C14H26N2 — CID 139498145

IUPAC5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine
SMILESCC(C)(C)C1=NCC(CCCCCN)C=C1
InChIInChI=1S/C14H26N2/c1-14(2,3)13-9-8-12(11-16-13)7-5-4-6-10-15/h8-9,12H,4-7,10-11,15H2,1-3H3
InChIKeyOREVLGQNJFEGKG-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.18
Rot. Bonds5

About 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine

5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine (PubChem CID 139498145) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine
PubChem CID139498145
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine
SMILESCC(C)(C)C1=NCC(CCCCCN)C=C1
InChIInChI=1S/C14H26N2/c1-14(2,3)13-9-8-12(11-16-13)7-5-4-6-10-15/h8-9,12H,4-7,10-11,15H2,1-3H3
InChIKeyOREVLGQNJFEGKG-UHFFFAOYSA-N
XLogP3.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine?
The IUPAC name of 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine (CID 139498145) is 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine?
The canonical SMILES for 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine is CC(C)(C)C1=NCC(CCCCCN)C=C1.
What is the InChIKey of 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine?
The InChIKey is OREVLGQNJFEGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(2,3)13-9-8-12(11-16-13)7-5-4-6-10-15/h8-9,12H,4-7,10-11,15H2,1-3H3.
What are the key properties of 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine?
5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-2,3-dihydropyridin-3-yl)pentan-1-amine is sourced from PubChem (CID 139498145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).