3-(aminomethyl)-N-propyloxolan-3-amine

C8H18N2O — CID 63335837

IUPAC3-(aminomethyl)-N-propyloxolan-3-amine
SMILESCCCNC1(CN)CCOC1
InChIInChI=1S/C8H18N2O/c1-2-4-10-8(6-9)3-5-11-7-8/h10H,2-7,9H2,1H3
InChIKeyUAPFTDAYEQNJKV-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.10
Rot. Bonds4

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

3-(aminomethyl)-N-propyloxolan-3-amine (PubChem CID 63335837) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-propyloxolan-3-amine
PubChem CID63335837
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(aminomethyl)-N-propyloxolan-3-amine
SMILESCCCNC1(CN)CCOC1
InChIInChI=1S/C8H18N2O/c1-2-4-10-8(6-9)3-5-11-7-8/h10H,2-7,9H2,1H3
InChIKeyUAPFTDAYEQNJKV-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-propyloxolan-3-amine (CID 63335837) is 3-(aminomethyl)-N-propyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-propyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-propyloxolan-3-amine is CCCNC1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-propyloxolan-3-amine?
The InChIKey is UAPFTDAYEQNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-4-10-8(6-9)3-5-11-7-8/h10H,2-7,9H2,1H3.
What are the key properties of 3-(aminomethyl)-N-propyloxolan-3-amine?
3-(aminomethyl)-N-propyloxolan-3-amine has a molecular weight of 158.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propyloxolan-3-amine is sourced from PubChem (CID 63335837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).