N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine

C14H26N2O — CID 114413482

IUPACN-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine
SMILESCOCC1=CCN(CC(C)CNC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-12(9-15-14-3-4-14)10-16-7-5-13(6-8-16)11-17-2/h5,12,14-15H,3-4,6-11H2,1-2H3
InChIKeySOHOMBQIGOBZNR-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.65
Rot. Bonds7

About N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine

N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine (PubChem CID 114413482) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine
PubChem CID114413482
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine
SMILESCOCC1=CCN(CC(C)CNC2CC2)CC1
InChIInChI=1S/C14H26N2O/c1-12(9-15-14-3-4-14)10-16-7-5-13(6-8-16)11-17-2/h5,12,14-15H,3-4,6-11H2,1-2H3
InChIKeySOHOMBQIGOBZNR-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.65
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-[2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114413272
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-2-amine
CID 114411053
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 106594618
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 114413331
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114410986
cis-(1R,3S)-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320185
1-[3-(cyclopropylamino)-2-methylpropyl]-N,N-diethylpyrrolidin-3-amine
CID 63166714
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114411039
N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentanamine
CID 115641946

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine (CID 114413482) is N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine is COCC1=CCN(CC(C)CNC2CC2)CC1.
What is the InChIKey of N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine?
The InChIKey is SOHOMBQIGOBZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(9-15-14-3-4-14)10-16-7-5-13(6-8-16)11-17-2/h5,12,14-15H,3-4,6-11H2,1-2H3.
What are the key properties of N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine?
N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine has a molecular weight of 238.37 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-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 114413482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).