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

C13H24N2O — CID 106316859

IUPACN-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN2CCC=C(C)C2)O1
InChIInChI=1S/C13H24N2O/c1-11-4-3-7-15(9-11)10-13-6-5-12(16-13)8-14-2/h4,12-14H,3,5-10H2,1-2H3
InChIKeyCCYDMBJLSBUUJJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds4

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

N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 106316859) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID106316859
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(CN2CCC=C(C)C2)O1
InChIInChI=1S/C13H24N2O/c1-11-4-3-7-15(9-11)10-13-6-5-12(16-13)8-14-2/h4,12-14H,3,5-10H2,1-2H3
InChIKeyCCYDMBJLSBUUJJ-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
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-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75443988
[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490134
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 114490620
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 114490649
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 114490695
N-methyl-1-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490720
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 114490730
N-[2-(cyclohexen-1-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine
CID 16076660
(3Z,5Z)-2,5-dimethylhepta-1,3,5-triene;N-methyl-1-(oxolan-2-yl)methanamine;molecular hydrogen;uranium
CID 144380498
(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 146535821
1-cyclohex-2-en-1-yl-N-(oxolan-2-ylmethyl)methanamine
CID 24077809
1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43765468

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine (CID 106316859) is N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine is CNCC1CCC(CN2CCC=C(C)C2)O1.
What is the InChIKey of N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is CCYDMBJLSBUUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-4-3-7-15(9-11)10-13-6-5-12(16-13)8-14-2/h4,12-14H,3,5-10H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 106316859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).