N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine

C13H26N2O — CID 154992836

IUPACN-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
SMILESCNC(C)COCCCN1CC=C(C)CC1
InChIInChI=1S/C13H26N2O/c1-12-5-8-15(9-6-12)7-4-10-16-11-13(2)14-3/h5,13-14H,4,6-11H2,1-3H3
InChIKeyYGDVRGHJWVTJJA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds7

About N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine

N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine (PubChem CID 154992836) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
PubChem CID154992836
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
SMILESCNC(C)COCCCN1CC=C(C)CC1
InChIInChI=1S/C13H26N2O/c1-12-5-8-15(9-6-12)7-4-10-16-11-13(2)14-3/h5,13-14H,4,6-11H2,1-3H3
InChIKeyYGDVRGHJWVTJJA-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine?
The IUPAC name of N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine (CID 154992836) is N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine?
The canonical SMILES for N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine is CNC(C)COCCCN1CC=C(C)CC1.
What is the InChIKey of N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine?
The InChIKey is YGDVRGHJWVTJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12-5-8-15(9-6-12)7-4-10-16-11-13(2)14-3/h5,13-14H,4,6-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine?
N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine is sourced from PubChem (CID 154992836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).