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

C16H30N2O — CID 106316749

IUPAC2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCC1=CCCN(CC2CCC(CNCC(C)C)O2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)9-17-10-15-6-7-16(19-15)12-18-8-4-5-14(3)11-18/h5,13,15-17H,4,6-12H2,1-3H3
InChIKeyLMHZZQWEHNVJFC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.43
Rot. Bonds6

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

2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 106316749) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID106316749
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCC1=CCCN(CC2CCC(CNCC(C)C)O2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)9-17-10-15-6-7-16(19-15)12-18-8-4-5-14(3)11-18/h5,13,15-17H,4,6-12H2,1-3H3
InChIKeyLMHZZQWEHNVJFC-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.43
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-[[5-(1,3-dihydroisoindol-2-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62438407
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 63025503
2-methyl-N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62973926
2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62443116
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82751348
5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
CID 130194944
N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
CID 114413049
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62458043
N-ethyl-2-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 106314882
N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62424996
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 106316749) is 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is CC1=CCCN(CC2CCC(CNCC(C)C)O2)C1.
What is the InChIKey of 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is LMHZZQWEHNVJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)9-17-10-15-6-7-16(19-15)12-18-8-4-5-14(3)11-18/h5,13,15-17H,4,6-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106316749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).