N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine

C12H23NO3 — CID 115718476

IUPACN-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine
SMILESC1COCC(NCCOCC2CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-2-12(10-14-5-1)13-4-7-16-9-11-3-6-15-8-11/h11-13H,1-10H2
InChIKeyVPPACLBARPGVRE-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.81
Rot. Bonds6

About N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine

N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine (PubChem CID 115718476) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine
PubChem CID115718476
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine
SMILESC1COCC(NCCOCC2CCOC2)C1
InChIInChI=1S/C12H23NO3/c1-2-12(10-14-5-1)13-4-7-16-9-11-3-6-15-8-11/h11-13H,1-10H2
InChIKeyVPPACLBARPGVRE-UHFFFAOYSA-N
XLogP0.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)oxan-3-amine
CID 63363906
N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine
CID 115718470
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
2-[2-(oxolan-3-ylamino)ethoxy]ethanol
CID 63331737
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N-[2-(cyclopropylmethoxy)ethyl]cyclooctanamine
CID 115718328
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-[2-(oxolan-3-yl)ethyl]cyclohexanamine
CID 103878945
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
CID 66472549
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
N-[2-(oxolan-3-ylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62582382

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine?
The IUPAC name of N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine (CID 115718476) is N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine.
What is the SMILES notation for N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine?
The canonical SMILES for N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine is C1COCC(NCCOCC2CCOC2)C1.
What is the InChIKey of N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine?
The InChIKey is VPPACLBARPGVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-12(10-14-5-1)13-4-7-16-9-11-3-6-15-8-11/h11-13H,1-10H2.
What are the key properties of N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine?
N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine has a molecular weight of 229.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine is sourced from PubChem (CID 115718476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).