3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol

C14H32N2O — CID 65333297

IUPAC3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol
SMILESCCC(CC)C(CNC(C)C(C)(C)O)N(C)C
InChIInChI=1S/C14H32N2O/c1-8-12(9-2)13(16(6)7)10-15-11(3)14(4,5)17/h11-13,15,17H,8-10H2,1-7H3
InChIKeyBQOQNTISOAFQRB-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.10
Rot. Bonds8

About 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol

3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol (PubChem CID 65333297) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol
PubChem CID65333297
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol
SMILESCCC(CC)C(CNC(C)C(C)(C)O)N(C)C
InChIInChI=1S/C14H32N2O/c1-8-12(9-2)13(16(6)7)10-15-11(3)14(4,5)17/h11-13,15,17H,8-10H2,1-7H3
InChIKeyBQOQNTISOAFQRB-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol (CID 65333297) is 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol is CCC(CC)C(CNC(C)C(C)(C)O)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol?
The InChIKey is BQOQNTISOAFQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-8-12(9-2)13(16(6)7)10-15-11(3)14(4,5)17/h11-13,15,17H,8-10H2,1-7H3.
What are the key properties of 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol?
3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol has a molecular weight of 244.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65333297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).