3-(aminomethyl)-N-prop-2-enyloxolan-3-amine

C8H16N2O — CID 65385562

IUPAC3-(aminomethyl)-N-prop-2-enyloxolan-3-amine
SMILESC=CCNC1(CN)CCOC1
InChIInChI=1S/C8H16N2O/c1-2-4-10-8(6-9)3-5-11-7-8/h2,10H,1,3-7,9H2
InChIKeyFLSMTXYFKCIEIG-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.12
Rot. Bonds4

About 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine

3-(aminomethyl)-N-prop-2-enyloxolan-3-amine (PubChem CID 65385562) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-prop-2-enyloxolan-3-amine
PubChem CID65385562
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(aminomethyl)-N-prop-2-enyloxolan-3-amine
SMILESC=CCNC1(CN)CCOC1
InChIInChI=1S/C8H16N2O/c1-2-4-10-8(6-9)3-5-11-7-8/h2,10H,1,3-7,9H2
InChIKeyFLSMTXYFKCIEIG-UHFFFAOYSA-N
XLogP-0.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 117629270
3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 117629271
trans-N,N-di(prop-2-en-1-yl)tetrahydrofuran-3,4-diamine
CID 117629272
4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 123338679
(4R)-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 132048676
3-(aminomethyl)-N-propyloxolan-3-amine
CID 63335837
3-[[Bis(prop-2-enyl)amino]methyl]oxolan-3-amine
CID 64893026
3-[[Ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
CID 64893230
4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine
CID 65382596
3-(aminomethyl)-N-prop-2-enyloxan-3-amine
CID 65382807
2-(methoxymethyl)-2-N-prop-2-enylbutane-1,2-diamine
CID 65384077
4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256569

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine (CID 65385562) is 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine is C=CCNC1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine?
The InChIKey is FLSMTXYFKCIEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-4-10-8(6-9)3-5-11-7-8/h2,10H,1,3-7,9H2.
What are the key properties of 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine?
3-(aminomethyl)-N-prop-2-enyloxolan-3-amine has a molecular weight of 156.23 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-prop-2-enyloxolan-3-amine is sourced from PubChem (CID 65385562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).