1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine

C14H30N2O — CID 103562916

IUPAC1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCOCCN(CC)C1(CN)CC(C(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-16(7-8-17-6-2)14(11-15)9-13(10-14)12(3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyANUJEJXOVRMDHJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds8

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

1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103562916) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
PubChem CID103562916
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCOCCN(CC)C1(CN)CC(C(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-16(7-8-17-6-2)14(11-15)9-13(10-14)12(3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyANUJEJXOVRMDHJ-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine
CID 63697360
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
1-(aminomethyl)-N-ethyl-N-[2-(3-methylbutoxy)ethyl]cycloheptan-1-amine
CID 62007525
1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562532
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine
CID 81320666
1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
CID 103562597
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)thiolan-3-amine
CID 82965361
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
CID 81059702
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429111

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine (CID 103562916) is 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine is CCOCCN(CC)C1(CN)CC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is ANUJEJXOVRMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-16(7-8-17-6-2)14(11-15)9-13(10-14)12(3)4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine?
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103562916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).