2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol

C18H37NO2 — CID 106810269

IUPAC2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
SMILESCCCCCCC(C)OCCCC(CC)(CO)NC1CC1
InChIInChI=1S/C18H37NO2/c1-4-6-7-8-10-16(3)21-14-9-13-18(5-2,15-20)19-17-11-12-17/h16-17,19-20H,4-15H2,1-3H3
InChIKeyIONDTSNRSYHHQJ-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.04
Rot. Bonds14

About 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol

2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol (PubChem CID 106810269) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
PubChem CID106810269
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
SMILESCCCCCCC(C)OCCCC(CC)(CO)NC1CC1
InChIInChI=1S/C18H37NO2/c1-4-6-7-8-10-16(3)21-14-9-13-18(5-2,15-20)19-17-11-12-17/h16-17,19-20H,4-15H2,1-3H3
InChIKeyIONDTSNRSYHHQJ-UHFFFAOYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635
2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
CID 64802111
2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810677
2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
CID 106810706
2-(cyclopropylamino)-2-ethyl-5-[methyl(pentyl)amino]pentan-1-ol
CID 106809226
N-(4-hexoxypentyl)cyclopropanamine
CID 62455519
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-octan-2-yloxydecane
CID 86220707
2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
CID 64809585

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol (CID 106810269) is 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol is CCCCCCC(C)OCCCC(CC)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol?
The InChIKey is IONDTSNRSYHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-7-8-10-16(3)21-14-9-13-18(5-2,15-20)19-17-11-12-17/h16-17,19-20H,4-15H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol?
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 4.04, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol is sourced from PubChem (CID 106810269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).