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

C10H21NO — CID 65165961

IUPAC2-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(CN)CCC1CCCO1
InChIInChI=1S/C10H21NO/c1-2-9(8-11)5-6-10-4-3-7-12-10/h9-10H,2-8,11H2,1H3
InChIKeyAUVCAOZAAXBNDV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds5

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

2-ethyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65165961) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65165961
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(CN)CCC1CCCO1
InChIInChI=1S/C10H21NO/c1-2-9(8-11)5-6-10-4-3-7-12-10/h9-10H,2-8,11H2,1H3
InChIKeyAUVCAOZAAXBNDV-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)pentan-3-amine
CID 62549637
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine
CID 112569622
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
[4-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine
CID 105314328
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
CID 79411600

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-4-(oxolan-2-yl)butan-1-amine (CID 65165961) is 2-ethyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-4-(oxolan-2-yl)butan-1-amine is CCC(CN)CCC1CCCO1.
What is the InChIKey of 2-ethyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is AUVCAOZAAXBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-9(8-11)5-6-10-4-3-7-12-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 2-ethyl-4-(oxolan-2-yl)butan-1-amine?
2-ethyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65165961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).