2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine

C14H26N2 — CID 174306415

IUPAC2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine
SMILESCCC(C)/C=N/C1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C14H26N2/c1-6-12(4)9-15-14-7-8-16(11(2)3)10-13(14)5/h9,11-12H,6-8,10H2,1-5H3/b15-9+
InChIKeyBIPWSLDPTRCGCW-OQLLNIDSSA-N
MW222.38 g/mol
LogP3.49
Rot. Bonds4

About 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine

2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine (PubChem CID 174306415) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine
PubChem CID174306415
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine
SMILESCCC(C)/C=N/C1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C14H26N2/c1-6-12(4)9-15-14-7-8-16(11(2)3)10-13(14)5/h9,11-12H,6-8,10H2,1-5H3/b15-9+
InChIKeyBIPWSLDPTRCGCW-OQLLNIDSSA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine?
The IUPAC name of 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine (CID 174306415) is 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine?
The canonical SMILES for 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine is CCC(C)/C=N/C1=C(C)CN(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine?
The InChIKey is BIPWSLDPTRCGCW-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-12(4)9-15-14-7-8-16(11(2)3)10-13(14)5/h9,11-12H,6-8,10H2,1-5H3/b15-9+.
What are the key properties of 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine?
2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine has a molecular weight of 222.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine is sourced from PubChem (CID 174306415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).