3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine

C12H26N2O — CID 65041154

IUPAC3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine
SMILESCCC(CC)(CC)NCC1(N)CCOC1
InChIInChI=1S/C12H26N2O/c1-4-12(5-2,6-3)14-9-11(13)7-8-15-10-11/h14H,4-10,13H2,1-3H3
InChIKeyGXFZEUMOXDWOEE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.66
Rot. Bonds6

About 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine

3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine (PubChem CID 65041154) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine
PubChem CID65041154
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine
SMILESCCC(CC)(CC)NCC1(N)CCOC1
InChIInChI=1S/C12H26N2O/c1-4-12(5-2,6-3)14-9-11(13)7-8-15-10-11/h14H,4-10,13H2,1-3H3
InChIKeyGXFZEUMOXDWOEE-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine?
The IUPAC name of 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine (CID 65041154) is 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine is CCC(CC)(CC)NCC1(N)CCOC1.
What is the InChIKey of 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine?
The InChIKey is GXFZEUMOXDWOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(5-2,6-3)14-9-11(13)7-8-15-10-11/h14H,4-10,13H2,1-3H3.
What are the key properties of 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine?
3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 65041154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).