3-(aminomethyl)-N-benzyloxolan-3-amine

C12H18N2O — CID 65384002

IUPAC3-(aminomethyl)-N-benzyloxolan-3-amine
SMILESNCC1(NCc2ccccc2)CCOC1
InChIInChI=1S/C12H18N2O/c13-9-12(6-7-15-10-12)14-8-11-4-2-1-3-5-11/h1-5,14H,6-10,13H2
InChIKeyWHCQBNRDMASYIG-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.89
Rot. Bonds4

About 3-(aminomethyl)-N-benzyloxolan-3-amine

3-(aminomethyl)-N-benzyloxolan-3-amine (PubChem CID 65384002) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-benzyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-benzyloxolan-3-amine
PubChem CID65384002
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(aminomethyl)-N-benzyloxolan-3-amine
SMILESNCC1(NCc2ccccc2)CCOC1
InChIInChI=1S/C12H18N2O/c13-9-12(6-7-15-10-12)14-8-11-4-2-1-3-5-11/h1-5,14H,6-10,13H2
InChIKeyWHCQBNRDMASYIG-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-benzyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-benzyloxolan-3-amine (CID 65384002) is 3-(aminomethyl)-N-benzyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-benzyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-benzyloxolan-3-amine is NCC1(NCc2ccccc2)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-benzyloxolan-3-amine?
The InChIKey is WHCQBNRDMASYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-12(6-7-15-10-12)14-8-11-4-2-1-3-5-11/h1-5,14H,6-10,13H2.
What are the key properties of 3-(aminomethyl)-N-benzyloxolan-3-amine?
3-(aminomethyl)-N-benzyloxolan-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-benzyloxolan-3-amine is sourced from PubChem (CID 65384002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).