N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

C9H18N2 — CID 117205559

IUPACN,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCN(C)CC1=CCCN(C)C1
InChIInChI=1S/C9H18N2/c1-10(2)7-9-5-4-6-11(3)8-9/h5H,4,6-8H2,1-3H3
InChIKeyQORNUEBFOHCYEM-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.81
Rot. Bonds2

About N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (PubChem CID 117205559) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
PubChem CID117205559
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
SMILESCN(C)CC1=CCCN(C)C1
InChIInChI=1S/C9H18N2/c1-10(2)7-9-5-4-6-11(3)8-9/h5H,4,6-8H2,1-3H3
InChIKeyQORNUEBFOHCYEM-UHFFFAOYSA-N
XLogP0.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine (CID 117205559) is N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is CN(C)CC1=CCCN(C)C1.
What is the InChIKey of N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
The InChIKey is QORNUEBFOHCYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-10(2)7-9-5-4-6-11(3)8-9/h5H,4,6-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine?
N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine is sourced from PubChem (CID 117205559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).