2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol

C11H23NO — CID 62016472

IUPAC2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)CC1CC1
InChIInChI=1S/C11H23NO/c1-3-11(4-2)12(7-8-13)9-10-5-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyDYAZLGKMKJDESR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds7

About 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol

2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol (PubChem CID 62016472) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
PubChem CID62016472
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)CC1CC1
InChIInChI=1S/C11H23NO/c1-3-11(4-2)12(7-8-13)9-10-5-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyDYAZLGKMKJDESR-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol (CID 62016472) is 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol is CCC(CC)N(CCO)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol?
The InChIKey is DYAZLGKMKJDESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-11(4-2)12(7-8-13)9-10-5-6-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol?
2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 62016472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).