N-(3,3-diethoxypropyl)decan-1-amine

C17H37NO2 — CID 81093302

IUPACN-(3,3-diethoxypropyl)decan-1-amine
SMILESCCCCCCCCCCNCCC(OCC)OCC
InChIInChI=1S/C17H37NO2/c1-4-7-8-9-10-11-12-13-15-18-16-14-17(19-5-2)20-6-3/h17-18H,4-16H2,1-3H3
InChIKeyHWOSTCHVUKMEBP-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.51
Rot. Bonds16

About N-(3,3-diethoxypropyl)decan-1-amine

N-(3,3-diethoxypropyl)decan-1-amine (PubChem CID 81093302) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)decan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)decan-1-amine
PubChem CID81093302
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC NameN-(3,3-diethoxypropyl)decan-1-amine
SMILESCCCCCCCCCCNCCC(OCC)OCC
InChIInChI=1S/C17H37NO2/c1-4-7-8-9-10-11-12-13-15-18-16-14-17(19-5-2)20-6-3/h17-18H,4-16H2,1-3H3
InChIKeyHWOSTCHVUKMEBP-UHFFFAOYSA-N
XLogP4.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(3,3-diethoxypropyl)decan-1-amine 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

N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine
CID 113481083
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
N,N'-bis(3,3-diethoxypropyl)butane-1,4-diamine;bis(nitric acid)
CID 71361975
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
5-(3,3-diethoxypropylamino)pentanamide
CID 114162185
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)decan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)decan-1-amine (CID 81093302) is N-(3,3-diethoxypropyl)decan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)decan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)decan-1-amine is CCCCCCCCCCNCCC(OCC)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)decan-1-amine?
The InChIKey is HWOSTCHVUKMEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-4-7-8-9-10-11-12-13-15-18-16-14-17(19-5-2)20-6-3/h17-18H,4-16H2,1-3H3.
What are the key properties of N-(3,3-diethoxypropyl)decan-1-amine?
N-(3,3-diethoxypropyl)decan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.51, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)decan-1-amine is sourced from PubChem (CID 81093302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).