1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol

C11H26N2O2 — CID 118974808

IUPAC1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol
SMILESCCOCCCNC(O)CCC(C)NC
InChIInChI=1S/C11H26N2O2/c1-4-15-9-5-8-13-11(14)7-6-10(2)12-3/h10-14H,4-9H2,1-3H3
InChIKeyQYWKUOFTMAVNDZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.71
Rot. Bonds10

About 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol

1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol (PubChem CID 118974808) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol
PubChem CID118974808
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol
SMILESCCOCCCNC(O)CCC(C)NC
InChIInChI=1S/C11H26N2O2/c1-4-15-9-5-8-13-11(14)7-6-10(2)12-3/h10-14H,4-9H2,1-3H3
InChIKeyQYWKUOFTMAVNDZ-UHFFFAOYSA-N
XLogP0.71
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol
CID 155034840
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
1-(3-octoxypropylamino)ethanol
CID 88783287
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109645
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
3-(3-ethoxypropylamino)-4-methoxybutan-1-ol
CID 106159789
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
1-(3-ethoxypropyl)-3-pentan-2-ylthiourea
CID 115570086
N-(3-propoxypropyl)pentan-2-amine
CID 82940850

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol?
The IUPAC name of 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol (CID 118974808) is 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol.
What is the SMILES notation for 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol?
The canonical SMILES for 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol is CCOCCCNC(O)CCC(C)NC.
What is the InChIKey of 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol?
The InChIKey is QYWKUOFTMAVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-15-9-5-8-13-11(14)7-6-10(2)12-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol?
1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol is sourced from PubChem (CID 118974808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).