5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol

C17H35NO — CID 166960914

IUPAC5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol
SMILESC=C(C)NC(CCCC)C(CC)C(O)C(C)C(C)C
InChIInChI=1S/C17H35NO/c1-8-10-11-16(18-13(5)6)15(9-2)17(19)14(7)12(3)4/h12,14-19H,5,8-11H2,1-4,6-7H3
InChIKeyLCJHQEDOAHVWCN-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.35
Rot. Bonds10

About 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol

5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol (PubChem CID 166960914) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol
PubChem CID166960914
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol
SMILESC=C(C)NC(CCCC)C(CC)C(O)C(C)C(C)C
InChIInChI=1S/C17H35NO/c1-8-10-11-16(18-13(5)6)15(9-2)17(19)14(7)12(3)4/h12,14-19H,5,8-11H2,1-4,6-7H3
InChIKeyLCJHQEDOAHVWCN-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol?
The IUPAC name of 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol (CID 166960914) is 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol?
The canonical SMILES for 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol is C=C(C)NC(CCCC)C(CC)C(O)C(C)C(C)C.
What is the InChIKey of 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol?
The InChIKey is LCJHQEDOAHVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-8-10-11-16(18-13(5)6)15(9-2)17(19)14(7)12(3)4/h12,14-19H,5,8-11H2,1-4,6-7H3.
What are the key properties of 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol?
5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol has a molecular weight of 269.47 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-6-(prop-1-en-2-ylamino)decan-4-ol is sourced from PubChem (CID 166960914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).