N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine

C15H26N2O — CID 106316750

IUPACN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(CC2CCC(CNC3CC3)O2)C1
InChIInChI=1S/C15H26N2O/c1-12-3-2-8-17(10-12)11-15-7-6-14(18-15)9-16-13-4-5-13/h3,13-16H,2,4-11H2,1H3
InChIKeyRNMJCVLFOCGXSM-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.94
Rot. Bonds5

About N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 106316750) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID106316750
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(CC2CCC(CNC3CC3)O2)C1
InChIInChI=1S/C15H26N2O/c1-12-3-2-8-17(10-12)11-15-7-6-14(18-15)9-16-13-4-5-13/h3,13-16H,2,4-11H2,1H3
InChIKeyRNMJCVLFOCGXSM-UHFFFAOYSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 106316750) is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine is CC1=CCCN(CC2CCC(CNC3CC3)O2)C1.
What is the InChIKey of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is RNMJCVLFOCGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-3-2-8-17(10-12)11-15-7-6-14(18-15)9-16-13-4-5-13/h3,13-16H,2,4-11H2,1H3.
What are the key properties of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 250.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106316750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).