2-butyloxolan-3-amine

C8H17NO — CID 79365227

IUPAC2-butyloxolan-3-amine
SMILESCCCCC1OCCC1N
InChIInChI=1S/C8H17NO/c1-2-3-4-8-7(9)5-6-10-8/h7-8H,2-6,9H2,1H3
InChIKeyYQSCBWYGRYRMNX-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds3

About 2-butyloxolan-3-amine

2-butyloxolan-3-amine (PubChem CID 79365227) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-butyloxolan-3-amine.

Molecular Properties

Compound Name2-butyloxolan-3-amine
PubChem CID79365227
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-butyloxolan-3-amine
SMILESCCCCC1OCCC1N
InChIInChI=1S/C8H17NO/c1-2-3-4-8-7(9)5-6-10-8/h7-8H,2-6,9H2,1H3
InChIKeyYQSCBWYGRYRMNX-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-ethyloxolan-3-amine
CID 124511863
3-(chloromethyl)-2-hexyloxolane
CID 79373695
(2R,3S)-2-octyl-3-pentyloxane
CID 20849211
(2-propyloxolan-3-yl)methanamine
CID 79368036
2-pentyloxolane-3-carboxylic acid
CID 79368786
(2S,3R)-2-butyl-3-[(1E)-2-methylbuta-1,3-dienyl]oxolane
CID 134968921
2-octadecyloxetane
CID 168986267
4-amino-2-tetradecyloxolan-3-ol
CID 20764167
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
1-(2-hexyloxan-3-yl)-N-methylmethanamine
CID 79365540
3-pentyloxolan-2-ol
CID 13291787
6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol
CID 67872617

Frequently Asked Questions

What is the IUPAC name of 2-butyloxolan-3-amine?
The IUPAC name of 2-butyloxolan-3-amine (CID 79365227) is 2-butyloxolan-3-amine.
What is the SMILES notation for 2-butyloxolan-3-amine?
The canonical SMILES for 2-butyloxolan-3-amine is CCCCC1OCCC1N.
What is the InChIKey of 2-butyloxolan-3-amine?
The InChIKey is YQSCBWYGRYRMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-8-7(9)5-6-10-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-butyloxolan-3-amine?
2-butyloxolan-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxolan-3-amine is sourced from PubChem (CID 79365227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).