N-butyl-3,4-dihydro-1H-pyridin-2-imine

C9H16N2 — CID 143913747

IUPACN-butyl-3,4-dihydro-1H-pyridin-2-imine
SMILESCCCC/N=C1\CCC=CN1
InChIInChI=1S/C9H16N2/c1-2-3-7-10-9-6-4-5-8-11-9/h5,8H,2-4,6-7H2,1H3,(H,10,11)
InChIKeyQRUZDKPEJUOTBN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds3

About N-butyl-3,4-dihydro-1H-pyridin-2-imine

N-butyl-3,4-dihydro-1H-pyridin-2-imine (PubChem CID 143913747) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-butyl-3,4-dihydro-1H-pyridin-2-imine.

Molecular Properties

Compound NameN-butyl-3,4-dihydro-1H-pyridin-2-imine
PubChem CID143913747
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-butyl-3,4-dihydro-1H-pyridin-2-imine
SMILESCCCC/N=C1\CCC=CN1
InChIInChI=1S/C9H16N2/c1-2-3-7-10-9-6-4-5-8-11-9/h5,8H,2-4,6-7H2,1H3,(H,10,11)
InChIKeyQRUZDKPEJUOTBN-UHFFFAOYSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[(Z)-but-1-enyl]-N'-methylethanimidamide
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2-Ethyl-4-methyl-1,4-dihydropyrimidine
CID 89750395
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CID 91047825
2-Propyl-1,4-dihydropyrimidine
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CID 117837442

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dihydro-1H-pyridin-2-imine?
The IUPAC name of N-butyl-3,4-dihydro-1H-pyridin-2-imine (CID 143913747) is N-butyl-3,4-dihydro-1H-pyridin-2-imine.
What is the SMILES notation for N-butyl-3,4-dihydro-1H-pyridin-2-imine?
The canonical SMILES for N-butyl-3,4-dihydro-1H-pyridin-2-imine is CCCC/N=C1\CCC=CN1.
What is the InChIKey of N-butyl-3,4-dihydro-1H-pyridin-2-imine?
The InChIKey is QRUZDKPEJUOTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-7-10-9-6-4-5-8-11-9/h5,8H,2-4,6-7H2,1H3,(H,10,11).
What are the key properties of N-butyl-3,4-dihydro-1H-pyridin-2-imine?
N-butyl-3,4-dihydro-1H-pyridin-2-imine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dihydro-1H-pyridin-2-imine is sourced from PubChem (CID 143913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).