3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

C22H50N4O — CID 135369328

IUPAC3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCN(CC)C(C)C(CC)(OC(CC)(C(C)N(CC)CC)N(C)C)N(C)C
InChIInChI=1S/C22H50N4O/c1-13-21(23(9)10,19(7)25(15-3)16-4)27-22(14-2,24(11)12)20(8)26(17-5)18-6/h19-20H,13-18H2,1-12H3
InChIKeyVLCIXIRFSREELN-UHFFFAOYSA-N
MW386.67 g/mol
LogP3.80
Rot. Bonds14

About 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine

3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 135369328) has the molecular formula C22H50N4O and a molecular weight of 386.67 g/mol. Its IUPAC name is 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID135369328
Molecular FormulaC22H50N4O
Molecular Weight386.67 g/mol
Exact Mass386.40
IUPAC Name3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCN(CC)C(C)C(CC)(OC(CC)(C(C)N(CC)CC)N(C)C)N(C)C
InChIInChI=1S/C22H50N4O/c1-13-21(23(9)10,19(7)25(15-3)16-4)27-22(14-2,24(11)12)20(8)26(17-5)18-6/h19-20H,13-18H2,1-12H3
InChIKeyVLCIXIRFSREELN-UHFFFAOYSA-N
XLogP3.80
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel
CID 169074098
3-ethyl-N,N,2,4-tetramethylpentan-3-amine
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CID 87069221
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CID 62276772

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine (CID 135369328) is 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is CCN(CC)C(C)C(CC)(OC(CC)(C(C)N(CC)CC)N(C)C)N(C)C.
What is the InChIKey of 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is VLCIXIRFSREELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N4O/c1-13-21(23(9)10,19(7)25(15-3)16-4)27-22(14-2,24(11)12)20(8)26(17-5)18-6/h19-20H,13-18H2,1-12H3.
What are the key properties of 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine?
3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 386.67 g/mol, XLogP of 3.80, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-3-(dimethylamino)pentan-3-yl]oxy-2-N,2-N-diethyl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 135369328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).