N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine

C14H27NO2 — CID 115855860

IUPACN-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C1OCCC1C
InChIInChI=1S/C14H27NO2/c1-3-7-15-13(12-5-8-16-9-6-12)14-11(2)4-10-17-14/h11-15H,3-10H2,1-2H3
InChIKeyNFXYMSZXYQOMNE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.21
Rot. Bonds5

About N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine

N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 115855860) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID115855860
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C1OCCC1C
InChIInChI=1S/C14H27NO2/c1-3-7-15-13(12-5-8-16-9-6-12)14-11(2)4-10-17-14/h11-15H,3-10H2,1-2H3
InChIKeyNFXYMSZXYQOMNE-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyloxolan-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017744
2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105017391
3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 105028143
N-[2-methoxy-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105008827
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
[(3-methyloxolan-2-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306639
N-[oxan-4-yl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79910518
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105009718
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 65404987
N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine
CID 115846781
N-[(4-ethylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65329706

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine (CID 115855860) is N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine is CCCNC(C1CCOCC1)C1OCCC1C.
What is the InChIKey of N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is NFXYMSZXYQOMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-7-15-13(12-5-8-16-9-6-12)14-11(2)4-10-17-14/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115855860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).