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

C10H18N2 — CID 58229508

IUPAC2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
SMILESCC(C)/C=N/C1=CCN(C)CC1
InChIInChI=1S/C10H18N2/c1-9(2)8-11-10-4-6-12(3)7-5-10/h4,8-9H,5-7H2,1-3H3/b11-8+
InChIKeyDRROUWHMYJFSKC-DHZHZOJOSA-N
MW166.27 g/mol
LogP1.93
Rot. Bonds2

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

2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine (PubChem CID 58229508) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
PubChem CID58229508
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
SMILESCC(C)/C=N/C1=CCN(C)CC1
InChIInChI=1S/C10H18N2/c1-9(2)8-11-10-4-6-12(3)7-5-10/h4,8-9H,5-7H2,1-3H3/b11-8+
InChIKeyDRROUWHMYJFSKC-DHZHZOJOSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.93
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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
The IUPAC name of 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine (CID 58229508) is 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine is CC(C)/C=N/C1=CCN(C)CC1.
What is the InChIKey of 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
The InChIKey is DRROUWHMYJFSKC-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)8-11-10-4-6-12(3)7-5-10/h4,8-9H,5-7H2,1-3H3/b11-8+.
What are the key properties of 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine is sourced from PubChem (CID 58229508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).