4-[(2-methylpropylamino)methyl]oxolan-3-amine

C9H20N2O — CID 66237931

IUPAC4-[(2-methylpropylamino)methyl]oxolan-3-amine
SMILESCC(C)CNCC1COCC1N
InChIInChI=1S/C9H20N2O/c1-7(2)3-11-4-8-5-12-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyNAPGUDIFTRJCOG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.21
Rot. Bonds4

About 4-[(2-methylpropylamino)methyl]oxolan-3-amine

4-[(2-methylpropylamino)methyl]oxolan-3-amine (PubChem CID 66237931) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-[(2-methylpropylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(2-methylpropylamino)methyl]oxolan-3-amine
PubChem CID66237931
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-[(2-methylpropylamino)methyl]oxolan-3-amine
SMILESCC(C)CNCC1COCC1N
InChIInChI=1S/C9H20N2O/c1-7(2)3-11-4-8-5-12-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyNAPGUDIFTRJCOG-UHFFFAOYSA-N
XLogP0.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(2-methylpropylamino)methyl]oxolan-3-amine (CID 66237931) is 4-[(2-methylpropylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(2-methylpropylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(2-methylpropylamino)methyl]oxolan-3-amine is CC(C)CNCC1COCC1N.
What is the InChIKey of 4-[(2-methylpropylamino)methyl]oxolan-3-amine?
The InChIKey is NAPGUDIFTRJCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)3-11-4-8-5-12-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 4-[(2-methylpropylamino)methyl]oxolan-3-amine?
4-[(2-methylpropylamino)methyl]oxolan-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 66237931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).