3-ethoxy-N-nonan-2-ylcyclobutan-1-amine

C15H31NO — CID 114118781

IUPAC3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
SMILESCCCCCCCC(C)NC1CC(OCC)C1
InChIInChI=1S/C15H31NO/c1-4-6-7-8-9-10-13(3)16-14-11-15(12-14)17-5-2/h13-16H,4-12H2,1-3H3
InChIKeyBDAXENOHKCNVDT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds10

About 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine

3-ethoxy-N-nonan-2-ylcyclobutan-1-amine (PubChem CID 114118781) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
PubChem CID114118781
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
SMILESCCCCCCCC(C)NC1CC(OCC)C1
InChIInChI=1S/C15H31NO/c1-4-6-7-8-9-10-13(3)16-14-11-15(12-14)17-5-2/h13-16H,4-12H2,1-3H3
InChIKeyBDAXENOHKCNVDT-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.89
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

cis-(1R,3S)-3-methoxy-N-nonan-2-ylcyclopentan-1-amine
CID 170129842
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
3-ethoxy-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 112553242
3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine
CID 112554658
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-heptan-2-ylcycloheptanamine
CID 43082272
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
N-heptan-2-yl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635717
3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
CID 112553202
1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
CID 103168427

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine (CID 114118781) is 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine is CCCCCCCC(C)NC1CC(OCC)C1.
What is the InChIKey of 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine?
The InChIKey is BDAXENOHKCNVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-7-8-9-10-13(3)16-14-11-15(12-14)17-5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine?
3-ethoxy-N-nonan-2-ylcyclobutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-nonan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 114118781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).