3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine

C12H24N2 — CID 114413093

IUPAC3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CC=CCC1
InChIInChI=1S/C12H24N2/c1-11(2)13-9-12(3)10-14-7-5-4-6-8-14/h4-5,11-13H,6-10H2,1-3H3
InChIKeyPOHIUUPQCVXTTK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds5

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

3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 114413093) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID114413093
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)CN1CC=CCC1
InChIInChI=1S/C12H24N2/c1-11(2)13-9-12(3)10-14-7-5-4-6-8-14/h4-5,11-13H,6-10H2,1-3H3
InChIKeyPOHIUUPQCVXTTK-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 114410601
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 114413331
3-(3,5-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62423056
3-(4,4-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62931692
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62888034
2-(3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide
CID 130637291
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-methylpentan-1-amine
CID 114410673
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
CID 114411267
4-methyl-1-[2-methyl-3-(propan-2-ylamino)propyl]azepan-4-ol
CID 107407664
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62439650
[2-(3,6-dihydro-2H-pyridin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 15390279

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 114413093) is 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)CN1CC=CCC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is POHIUUPQCVXTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2)13-9-12(3)10-14-7-5-4-6-8-14/h4-5,11-13H,6-10H2,1-3H3.
What are the key properties of 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114413093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).