N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine

C9H16N2 — CID 143722639

IUPACN-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CNCC1
InChIInChI=1S/C9H16N2/c1-7(2)11-9-4-5-10-6-8(9)3/h10H,4-6H2,1-3H3
InChIKeyRLJIRPYTQLKESD-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds1

About N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine

N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine (PubChem CID 143722639) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine.

Molecular Properties

Compound NameN-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine
PubChem CID143722639
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine
SMILESCC(C)=NC1=C(C)CNCC1
InChIInChI=1S/C9H16N2/c1-7(2)11-9-4-5-10-6-8(9)3/h10H,4-6H2,1-3H3
InChIKeyRLJIRPYTQLKESD-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,1,5-trimethyl-3,6-dihydro-2H-pyridin-4-amine
CID 54565399
5-(aminomethyl)-N,1-dimethyl-3,6-dihydro-2H-pyridin-4-amine
CID 67589667
5-ethyl-6-methyl-2,7-dihydro-1H-1,4-diazepine
CID 118562952
N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine;ethane
CID 123971749
(Z)-3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613749
3-methyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 126613750
ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358571
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine
CID 142358650
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-imine
CID 145046784
5-(C,N-dimethylcarbonimidoyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine;ethane
CID 145577356
(5-Ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
CID 149065720

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine?
The IUPAC name of N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine (CID 143722639) is N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine.
What is the SMILES notation for N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine?
The canonical SMILES for N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine is CC(C)=NC1=C(C)CNCC1.
What is the InChIKey of N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine?
The InChIKey is RLJIRPYTQLKESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)11-9-4-5-10-6-8(9)3/h10H,4-6H2,1-3H3.
What are the key properties of N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine?
N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine is sourced from PubChem (CID 143722639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).