1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine

C16H33NO — CID 103168279

IUPAC1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine
SMILESCCCCC(CC)CC(N)CC1CC(OCC)C1
InChIInChI=1S/C16H33NO/c1-4-7-8-13(5-2)9-15(17)10-14-11-16(12-14)18-6-3/h13-16H,4-12,17H2,1-3H3
InChIKeyLMMBXRSFDWPODJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.13
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine

1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine (PubChem CID 103168279) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine
PubChem CID103168279
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine
SMILESCCCCC(CC)CC(N)CC1CC(OCC)C1
InChIInChI=1S/C16H33NO/c1-4-7-8-13(5-2)9-15(17)10-14-11-16(12-14)18-6-3/h13-16H,4-12,17H2,1-3H3
InChIKeyLMMBXRSFDWPODJ-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine
CID 103168855
1-(3-Ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine
CID 103169305
6-(11-Methyldodecoxy)hexane-2,3-diamine
CID 19902935
10-Methyl-1-(oxolan-2-yl)undecane-1,11-diamine
CID 20405360
6-(8-Methylnonoxy)hexane-2,3-diamine
CID 21183268
6-(2-Tetradecyloctadecoxy)hexane-2,3-diamine
CID 53941526
5-Heptan-4-yloxy-2-(3-heptan-4-yloxypropyl)pentan-1-amine
CID 59016870
(2R)-1-(oxepan-4-yl)pentan-2-amine
CID 59201382
(2R)-1-(oxan-4-yl)pentan-2-amine
CID 59378410
4-Methoxy-5,6-dimethylnonadecan-3-amine
CID 59957249
1-(Oxetan-2-yl)heptadecan-4-amine
CID 67766424
7-[2-[3-(5-Amino-1,3-dihexadecoxyhexyl)hexadecoxy]ethyl]-4,6-dihexadecoxyicosan-2-amine
CID 88154332

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine (CID 103168279) is 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine is CCCCC(CC)CC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine?
The InChIKey is LMMBXRSFDWPODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-7-8-13(5-2)9-15(17)10-14-11-16(12-14)18-6-3/h13-16H,4-12,17H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine?
1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-4-ethyloctan-2-amine is sourced from PubChem (CID 103168279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).