N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine

C14H26N2 — CID 13283862

IUPACN-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
SMILESCCCCC1C=CCCN1/C=N/C(C)(C)C
InChIInChI=1S/C14H26N2/c1-5-6-9-13-10-7-8-11-16(13)12-15-14(2,3)4/h7,10,12-13H,5-6,8-9,11H2,1-4H3/b15-12+
InChIKeyXVQGPLMCQJJYDB-NTCAYCPXSA-N
MW222.38 g/mol
LogP3.63
Rot. Bonds4

About N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine

N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine (PubChem CID 13283862) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
PubChem CID13283862
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
SMILESCCCCC1C=CCCN1/C=N/C(C)(C)C
InChIInChI=1S/C14H26N2/c1-5-6-9-13-10-7-8-11-16(13)12-15-14(2,3)4/h7,10,12-13H,5-6,8-9,11H2,1-4H3/b15-12+
InChIKeyXVQGPLMCQJJYDB-NTCAYCPXSA-N
XLogP3.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine (CID 13283862) is N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine is CCCCC1C=CCCN1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
The InChIKey is XVQGPLMCQJJYDB-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-6-9-13-10-7-8-11-16(13)12-15-14(2,3)4/h7,10,12-13H,5-6,8-9,11H2,1-4H3/b15-12+.
What are the key properties of N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine has a molecular weight of 222.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(6-butyl-3,6-dihydro-2H-pyridin-1-yl)methanimine is sourced from PubChem (CID 13283862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).