3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine

C13H27NO — CID 112554658

IUPAC3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)CC(C)CC)C1
InChIInChI=1S/C13H27NO/c1-5-10(3)7-11(4)14-12-8-13(9-12)15-6-2/h10-14H,5-9H2,1-4H3
InChIKeyJDSYASXXBIQBMP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine

3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine (PubChem CID 112554658) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine
PubChem CID112554658
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)CC(C)CC)C1
InChIInChI=1S/C13H27NO/c1-5-10(3)7-11(4)14-12-8-13(9-12)15-6-2/h10-14H,5-9H2,1-4H3
InChIKeyJDSYASXXBIQBMP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
CID 114118763
N-(4-methylhexan-2-yl)cyclopropanamine
CID 103439280
3-ethoxy-N-nonan-2-ylcyclobutan-1-amine
CID 114118781
3-ethoxy-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 112553242
2-[(3-ethoxycyclobutyl)amino]butan-1-ol
CID 112552968
2-[(3-ethoxycyclobutyl)amino]-N-pentan-2-ylpropanamide
CID 102671072
3-ethoxy-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
CID 112553202
N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
CID 112553206
3-ethoxy-N-[1-(furan-2-yl)propan-2-yl]cyclobutan-1-amine
CID 112553035
2-[(3-ethoxycyclobutyl)amino]-N,N,4-trimethylpentanamide
CID 112554585
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
3-[(3-ethoxycyclobutyl)amino]-2-methylpropan-1-ol
CID 112553088

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine (CID 112554658) is 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine is CCOC1CC(NC(C)CC(C)CC)C1.
What is the InChIKey of 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine?
The InChIKey is JDSYASXXBIQBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-10(3)7-11(4)14-12-8-13(9-12)15-6-2/h10-14H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine?
3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methylhexan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 112554658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).