4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine

C10H20N2O — CID 65384080

IUPAC4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine
SMILESC=CCNC1(CN)CCOC(C)C1
InChIInChI=1S/C10H20N2O/c1-3-5-12-10(8-11)4-6-13-9(2)7-10/h3,9,12H,1,4-8,11H2,2H3
InChIKeyMZXLEBGCXXZXHX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.66
Rot. Bonds4

About 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine

4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine (PubChem CID 65384080) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine
PubChem CID65384080
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine
SMILESC=CCNC1(CN)CCOC(C)C1
InChIInChI=1S/C10H20N2O/c1-3-5-12-10(8-11)4-6-13-9(2)7-10/h3,9,12H,1,4-8,11H2,2H3
InChIKeyMZXLEBGCXXZXHX-UHFFFAOYSA-N
XLogP0.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine (CID 65384080) is 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine is C=CCNC1(CN)CCOC(C)C1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine?
The InChIKey is MZXLEBGCXXZXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-5-12-10(8-11)4-6-13-9(2)7-10/h3,9,12H,1,4-8,11H2,2H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine?
4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine has a molecular weight of 184.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine is sourced from PubChem (CID 65384080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).