1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine

C11H24N2O — CID 103562848

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCOCCNC1(CN)CC(C(C)C)C1
InChIInChI=1S/C11H24N2O/c1-9(2)10-6-11(7-10,8-12)13-4-5-14-3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyKDIFHRIORDIZPK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.99
Rot. Bonds6

About 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562848) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562848
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCOCCNC1(CN)CC(C(C)C)C1
InChIInChI=1S/C11H24N2O/c1-9(2)10-6-11(7-10,8-12)13-4-5-14-3/h9-10,13H,4-8,12H2,1-3H3
InChIKeyKDIFHRIORDIZPK-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540617
2-ethyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 62542034
2-ethyl-1-N-(2-methoxyethyl)butane-1,2-diamine
CID 79812859
1-cyclobutyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 80486841
N-(3-propan-2-ylcyclobutyl)oxetan-3-amine
CID 103562093
N-(3-cyclobutylbutan-2-yl)-1-(methoxymethyl)cyclopropan-1-amine
CID 154992039
(2S)-3-cyclobutyl-2-N-ethyl-1-N-(2-methoxyethyl)-1-N-methylpropane-1,2-diamine
CID 156479692
N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen
CID 164877225
3-methyl-N-[3-(3-methylcyclobutyl)propyl]oxetan-3-amine
CID 167310674
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)-2-propylpentane-1,2-diamine
CID 54986885
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 55090123
2-ethyl-2-N-(2-methoxyethyl)-2-N,4-dimethylhexane-1,2-diamine
CID 61427292

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine (CID 103562848) is 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine is COCCNC1(CN)CC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is KDIFHRIORDIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)10-6-11(7-10,8-12)13-4-5-14-3/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).