1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine

C13H28N2O2 — CID 82965666

IUPAC1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
SMILESCCOCCN(CCOCC)C1(CN)CCC1
InChIInChI=1S/C13H28N2O2/c1-3-16-10-8-15(9-11-17-4-2)13(12-14)6-5-7-13/h3-12,14H2,1-2H3
InChIKeyDUOMWHPEYAORAT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds10

About 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine

1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine (PubChem CID 82965666) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
PubChem CID82965666
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
SMILESCCOCCN(CCOCC)C1(CN)CCC1
InChIInChI=1S/C13H28N2O2/c1-3-16-10-8-15(9-11-17-4-2)13(12-14)6-5-7-13/h3-12,14H2,1-2H3
InChIKeyDUOMWHPEYAORAT-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine
CID 63697360
1-(aminomethyl)-N-(2-butoxyethyl)-N-propylcyclopentan-1-amine
CID 62009945
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)thiolan-3-amine
CID 82965361
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N-ethyl-N-[2-(3-methylbutoxy)ethyl]cycloheptan-1-amine
CID 62007525
1-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylcyclopentan-1-amine
CID 62009346
4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
CID 81059601
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103562916

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine (CID 82965666) is 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine is CCOCCN(CCOCC)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine?
The InChIKey is DUOMWHPEYAORAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-16-10-8-15(9-11-17-4-2)13(12-14)6-5-7-13/h3-12,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine?
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 82965666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).