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

C11H23NO — CID 103561069

IUPACN-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCOCCNC1CC(C(C)C)C1
InChIInChI=1S/C11H23NO/c1-4-13-6-5-12-11-7-10(8-11)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyXVVXPUDPDYKSMV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds6

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

N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561069) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561069
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCOCCNC1CC(C(C)C)C1
InChIInChI=1S/C11H23NO/c1-4-13-6-5-12-11-7-10(8-11)9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyXVVXPUDPDYKSMV-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 64501211
N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 63278202
N-[(4S)-4-fluoro-3-propan-2-ylhexyl]oxetan-3-amine
CID 137537142
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-3-amine
CID 63827134
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 65503629
1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 103082660
N-[2-(2,2-difluoroethoxy)ethyl]-5-methylheptan-3-amine
CID 103082743
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 103561942
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103578519
1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 115713526
1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 115713528
1-cyclobutyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 116325159

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine (CID 103561069) is N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine is CCOCCNC1CC(C(C)C)C1.
What is the InChIKey of N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is XVVXPUDPDYKSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-13-6-5-12-11-7-10(8-11)9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine?
N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).