2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine

C11H22N2O — CID 103340388

IUPAC2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCN(CCOC)C1CCC1CN
InChIInChI=1S/C11H22N2O/c1-3-6-13(7-8-14-2)11-5-4-10(11)9-12/h3,10-11H,1,4-9,12H2,2H3
InChIKeyAEWOGHQZCSVCTI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.86
Rot. Bonds7

About 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine

2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine (PubChem CID 103340388) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine
PubChem CID103340388
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine
SMILESC=CCN(CCOC)C1CCC1CN
InChIInChI=1S/C11H22N2O/c1-3-6-13(7-8-14-2)11-5-4-10(11)9-12/h3,10-11H,1,4-9,12H2,2H3
InChIKeyAEWOGHQZCSVCTI-UHFFFAOYSA-N
XLogP0.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N,N-bis(2-methoxyethyl)cyclohexan-1-amine
CID 43588483
2-(aminomethyl)-N,N-bis(2-methoxyethyl)cycloheptan-1-amine
CID 43588484
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclohexan-1-amine
CID 54985662
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80997660
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylcyclohexan-1-amine
CID 54985664
N'-cyclopropyl-N'-(2-methoxyethyl)but-2-ene-1,4-diamine
CID 77110360
methyl 3-[[2-(aminomethyl)cyclohexyl]-(2-methoxyethyl)amino]propanoate
CID 115533614
2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
CID 63404054
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339453
2-cyclopropyl-1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339370
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine (CID 103340388) is 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine is C=CCN(CCOC)C1CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine?
The InChIKey is AEWOGHQZCSVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-6-13(7-8-14-2)11-5-4-10(11)9-12/h3,10-11H,1,4-9,12H2,2H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine?
2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylcyclobutan-1-amine is sourced from PubChem (CID 103340388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).