1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine

C14H27NO2 — CID 80683820

IUPAC1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCC1(C(N)CCCC2CCCO2)CCCCO1
InChIInChI=1S/C14H27NO2/c1-14(9-2-3-11-17-14)13(15)8-4-6-12-7-5-10-16-12/h12-13H,2-11,15H2,1H3
InChIKeyGTAIMQWIAYAWAP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.62
Rot. Bonds5

About 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine

1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 80683820) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID80683820
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCC1(C(N)CCCC2CCCO2)CCCCO1
InChIInChI=1S/C14H27NO2/c1-14(9-2-3-11-17-14)13(15)8-4-6-12-7-5-10-16-12/h12-13H,2-11,15H2,1H3
InChIKeyGTAIMQWIAYAWAP-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 79836963
1-(1-ethylcyclopentyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993713
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-amine
CID 116767606
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
[1-(1-ethoxycycloheptyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105278474
N-methyl-1-(1-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 106830218
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
2-methoxy-6-(oxolan-2-yl)hexan-3-amine
CID 79617762
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1-[1-(dimethylamino)cyclopentyl]-4-(oxolan-2-yl)butan-1-ol
CID 79067154

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine (CID 80683820) is 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine is CC1(C(N)CCCC2CCCO2)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is GTAIMQWIAYAWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(9-2-3-11-17-14)13(15)8-4-6-12-7-5-10-16-12/h12-13H,2-11,15H2,1H3.
What are the key properties of 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine?
1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 80683820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).