N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine

C14H22N2O — CID 115799745

IUPACN-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCOC1C
InChIInChI=1S/C14H22N2O/c1-3-7-16-14(12-5-4-8-15-10-12)13-6-9-17-11(13)2/h4-5,8,10-11,13-14,16H,3,6-7,9H2,1-2H3
InChIKeyWLRLJDPWUNHLPH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.55
Rot. Bonds5

About N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine

N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 115799745) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID115799745
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCOC1C
InChIInChI=1S/C14H22N2O/c1-3-7-16-14(12-5-4-8-15-10-12)13-6-9-17-11(13)2/h4-5,8,10-11,13-14,16H,3,6-7,9H2,1-2H3
InChIKeyWLRLJDPWUNHLPH-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115805290
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115860068
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
N-[pyridin-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 114622846

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine (CID 115799745) is N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)C1CCOC1C.
What is the InChIKey of N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is WLRLJDPWUNHLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-7-16-14(12-5-4-8-15-10-12)13-6-9-17-11(13)2/h4-5,8,10-11,13-14,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 115799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).