N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

C12H24N2O — CID 103227331

IUPACN-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCCNCC(COC)N1CC=C(C)CC1
InChIInChI=1S/C12H24N2O/c1-4-13-9-12(10-15-3)14-7-5-11(2)6-8-14/h5,12-13H,4,6-10H2,1-3H3
InChIKeyDMHMRSSVHGPFSU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

About N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (PubChem CID 103227331) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
PubChem CID103227331
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCCNCC(COC)N1CC=C(C)CC1
InChIInChI=1S/C12H24N2O/c1-4-13-9-12(10-15-3)14-7-5-11(2)6-8-14/h5,12-13H,4,6-10H2,1-3H3
InChIKeyDMHMRSSVHGPFSU-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227351
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227352
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227353
N-ethyl-3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227354
3-methoxy-N-propan-2-yl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227355
3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227356
3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227357
3-methoxy-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113790721
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114490130
1-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490205
N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490234
4-[(Z)-3-(piperazin-1-ylmethyl)pent-3-en-2-yl]morpholine
CID 18547154

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (CID 103227331) is N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is CCNCC(COC)N1CC=C(C)CC1.
What is the InChIKey of N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is DMHMRSSVHGPFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-13-9-12(10-15-3)14-7-5-11(2)6-8-14/h5,12-13H,4,6-10H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 103227331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).