N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine

C14H28N2O — CID 103227329

IUPACN-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CC=C(C)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)9-15-10-14(11-17-4)16-7-5-13(3)6-8-16/h5,12,14-15H,6-11H2,1-4H3
InChIKeyZDVXWFJQHQUQFW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.90
Rot. Bonds7

About N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine

N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 103227329) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID103227329
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CC=C(C)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)9-15-10-14(11-17-4)16-7-5-13(3)6-8-16/h5,12,14-15H,6-11H2,1-4H3
InChIKeyZDVXWFJQHQUQFW-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.90
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
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
2-N-(2-methoxyethyl)-4-methylcyclohex-4-ene-1,2-diamine
CID 68230498

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine (CID 103227329) is N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)N1CC=C(C)CC1.
What is the InChIKey of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is ZDVXWFJQHQUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)9-15-10-14(11-17-4)16-7-5-13(3)6-8-16/h5,12,14-15H,6-11H2,1-4H3.
What are the key properties of N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine?
N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103227329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).