N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine

C10H21NO2 — CID 104705094

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCOC1(CNCC(C)C)CCOC1
InChIInChI=1S/C10H21NO2/c1-9(2)6-11-7-10(12-3)4-5-13-8-10/h9,11H,4-8H2,1-3H3
InChIKeyQWVXKFAPGSSHNW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 104705094) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID104705094
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine
SMILESCOC1(CNCC(C)C)CCOC1
InChIInChI=1S/C10H21NO2/c1-9(2)6-11-7-10(12-3)4-5-13-8-10/h9,11H,4-8H2,1-3H3
InChIKeyQWVXKFAPGSSHNW-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine (CID 104705094) is N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine is COC1(CNCC(C)C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is QWVXKFAPGSSHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)6-11-7-10(12-3)4-5-13-8-10/h9,11H,4-8H2,1-3H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104705094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).