N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine

C14H26N2 — CID 123658473

IUPACN-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine
SMILESC/C=N/C(CC)CCN1C=CC(C)(C)CC1
InChIInChI=1S/C14H26N2/c1-5-13(15-6-2)7-10-16-11-8-14(3,4)9-12-16/h6,8,11,13H,5,7,9-10,12H2,1-4H3/b15-6+
InChIKeyGPTSPRKCQWVGPO-GIDUJCDVSA-N
MW222.38 g/mol
LogP3.49
Rot. Bonds5

About N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine

N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine (PubChem CID 123658473) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine.

Molecular Properties

Compound NameN-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine
PubChem CID123658473
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine
SMILESC/C=N/C(CC)CCN1C=CC(C)(C)CC1
InChIInChI=1S/C14H26N2/c1-5-13(15-6-2)7-10-16-11-8-14(3,4)9-12-16/h6,8,11,13H,5,7,9-10,12H2,1-4H3/b15-6+
InChIKeyGPTSPRKCQWVGPO-GIDUJCDVSA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine
CID 168940529

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine?
The IUPAC name of N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine (CID 123658473) is N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine.
What is the SMILES notation for N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine?
The canonical SMILES for N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine is C/C=N/C(CC)CCN1C=CC(C)(C)CC1.
What is the InChIKey of N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine?
The InChIKey is GPTSPRKCQWVGPO-GIDUJCDVSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-13(15-6-2)7-10-16-11-8-14(3,4)9-12-16/h6,8,11,13H,5,7,9-10,12H2,1-4H3/b15-6+.
What are the key properties of N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine?
N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine has a molecular weight of 222.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine is sourced from PubChem (CID 123658473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).