1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine

C10H20N2 — CID 114410544

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)CN1CC=CCC1
InChIInChI=1S/C10H20N2/c1-10(2,11-3)9-12-7-5-4-6-8-12/h4-5,11H,6-9H2,1-3H3
InChIKeyMHXGAGCSJWHFRR-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds3

About 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine

1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine (PubChem CID 114410544) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine
PubChem CID114410544
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)CN1CC=CCC1
InChIInChI=1S/C10H20N2/c1-10(2,11-3)9-12-7-5-4-6-8-12/h4-5,11H,6-9H2,1-3H3
InChIKeyMHXGAGCSJWHFRR-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
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 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine (CID 114410544) is 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine is CNC(C)(C)CN1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine?
The InChIKey is MHXGAGCSJWHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2,11-3)9-12-7-5-4-6-8-12/h4-5,11H,6-9H2,1-3H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine?
1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 114410544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).