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

C11H22N2 — CID 106314970

IUPACN,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
SMILESCNC(C)(C)CN1CCC=C(C)C1
InChIInChI=1S/C11H22N2/c1-10-6-5-7-13(8-10)9-11(2,3)12-4/h6,12H,5,7-9H2,1-4H3
InChIKeyMZSGMSBSDYLKMZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds3

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

N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine (PubChem CID 106314970) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
PubChem CID106314970
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
SMILESCNC(C)(C)CN1CCC=C(C)C1
InChIInChI=1S/C11H22N2/c1-10-6-5-7-13(8-10)9-11(2,3)12-4/h6,12H,5,7-9H2,1-4H3
InChIKeyMZSGMSBSDYLKMZ-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
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'-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine
CID 75147107
1,2-Ethanediamine, N1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-
CID 46203485
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine dihydrochloride
CID 91642775
Geranylpiperazine
CID 14497703
1-(3,7-Dimethylocta-2,6-dienyl)piperazine
CID 53785157
(2R,3R)-2,3-bis(2-methylprop-1-enyl)piperazine
CID 96014881
2,2,2-trifluoro-N-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
CID 106314826
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]butan-2-amine
CID 113591689
2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
CID 114410880
2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489667
N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114489971

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The IUPAC name of N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine (CID 106314970) is N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The canonical SMILES for N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine is CNC(C)(C)CN1CCC=C(C)C1.
What is the InChIKey of N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
The InChIKey is MZSGMSBSDYLKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-6-5-7-13(8-10)9-11(2,3)12-4/h6,12H,5,7-9H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine?
N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine is sourced from PubChem (CID 106314970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).