3-amino-1-(diethylamino)-2-methylpentan-1-ol

C10H24N2O — CID 57315232

IUPAC3-amino-1-(diethylamino)-2-methylpentan-1-ol
SMILESCCC(N)C(C)C(O)N(CC)CC
InChIInChI=1S/C10H24N2O/c1-5-9(11)8(4)10(13)12(6-2)7-3/h8-10,13H,5-7,11H2,1-4H3
InChIKeyWAQPMLAYXIFHMK-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.02
Rot. Bonds6

About 3-amino-1-(diethylamino)-2-methylpentan-1-ol

3-amino-1-(diethylamino)-2-methylpentan-1-ol (PubChem CID 57315232) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-amino-1-(diethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(diethylamino)-2-methylpentan-1-ol
PubChem CID57315232
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-amino-1-(diethylamino)-2-methylpentan-1-ol
SMILESCCC(N)C(C)C(O)N(CC)CC
InChIInChI=1S/C10H24N2O/c1-5-9(11)8(4)10(13)12(6-2)7-3/h8-10,13H,5-7,11H2,1-4H3
InChIKeyWAQPMLAYXIFHMK-UHFFFAOYSA-N
XLogP1.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(diethylamino)-2-methylpentan-1-ol?
The IUPAC name of 3-amino-1-(diethylamino)-2-methylpentan-1-ol (CID 57315232) is 3-amino-1-(diethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 3-amino-1-(diethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 3-amino-1-(diethylamino)-2-methylpentan-1-ol is CCC(N)C(C)C(O)N(CC)CC.
What is the InChIKey of 3-amino-1-(diethylamino)-2-methylpentan-1-ol?
The InChIKey is WAQPMLAYXIFHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-9(11)8(4)10(13)12(6-2)7-3/h8-10,13H,5-7,11H2,1-4H3.
What are the key properties of 3-amino-1-(diethylamino)-2-methylpentan-1-ol?
3-amino-1-(diethylamino)-2-methylpentan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(diethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 57315232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).