1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine

C9H18N2O — CID 106822131

IUPAC1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1(CN)CC(OC)C1
InChIInChI=1S/C9H18N2O/c1-3-4-11-9(7-10)5-8(6-9)12-2/h3,8,11H,1,4-7,10H2,2H3
InChIKeyVNYNWTJILFPUKI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.27
Rot. Bonds5

About 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine

1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine (PubChem CID 106822131) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine
PubChem CID106822131
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCNC1(CN)CC(OC)C1
InChIInChI=1S/C9H18N2O/c1-3-4-11-9(7-10)5-8(6-9)12-2/h3,8,11H,1,4-7,10H2,2H3
InChIKeyVNYNWTJILFPUKI-UHFFFAOYSA-N
XLogP0.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.27
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

1-(aminomethyl)-3-butoxy-N-ethylcyclobutan-1-amine
CID 90327518
4-methoxy-2-methyl-2-N-prop-2-enylbutane-1,2-diamine
CID 65382596
N'-(3-methoxy-2,2-dimethylcyclobutyl)-N-prop-2-enylethane-1,2-diamine
CID 105846127
N'-(3-ethoxy-2,2-dimethylcyclobutyl)-N-prop-2-enylethane-1,2-diamine
CID 105846512
N'-(3-ethoxycyclobutyl)-N-prop-2-enylethane-1,2-diamine
CID 105846767
N'-(3-methoxycyclobutyl)-N-prop-2-enylethane-1,2-diamine
CID 105847143
4-methoxy-4-methyl-2-N-prop-2-enylpentane-1,2-diamine
CID 106675727
1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine
CID 106821984
1-(aminomethyl)-N-ethyl-3-methoxycyclobutan-1-amine
CID 106821985
1-(aminomethyl)-3-ethoxy-N-propylcyclobutan-1-amine
CID 106821986
1-(aminomethyl)-3-methoxy-N-propylcyclobutan-1-amine
CID 106821987
1-(aminomethyl)-3-methoxy-N-propan-2-ylcyclobutan-1-amine
CID 106821989

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine (CID 106822131) is 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine is C=CCNC1(CN)CC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine?
The InChIKey is VNYNWTJILFPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-11-9(7-10)5-8(6-9)12-2/h3,8,11H,1,4-7,10H2,2H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine?
1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine has a molecular weight of 170.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-prop-2-enylcyclobutan-1-amine is sourced from PubChem (CID 106822131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).