(2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol

C13H25NO2 — CID 95626145

IUPAC(2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol
SMILESCCOC[C@@H](O)CN(C)C(C1CC1)C1CC1
InChIInChI=1S/C13H25NO2/c1-3-16-9-12(15)8-14(2)13(10-4-5-10)11-6-7-11/h10-13,15H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyFTWOSKPPYSBXQF-LBPRGKRZSA-N
MW227.35 g/mol
LogP1.50
Rot. Bonds8

About (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol

(2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol (PubChem CID 95626145) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol
PubChem CID95626145
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol
SMILESCCOC[C@@H](O)CN(C)C(C1CC1)C1CC1
InChIInChI=1S/C13H25NO2/c1-3-16-9-12(15)8-14(2)13(10-4-5-10)11-6-7-11/h10-13,15H,3-9H2,1-2H3/t12-/m0/s1
InChIKeyFTWOSKPPYSBXQF-LBPRGKRZSA-N
XLogP1.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol?
The IUPAC name of (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol (CID 95626145) is (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol is CCOC[C@@H](O)CN(C)C(C1CC1)C1CC1.
What is the InChIKey of (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol?
The InChIKey is FTWOSKPPYSBXQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-16-9-12(15)8-14(2)13(10-4-5-10)11-6-7-11/h10-13,15H,3-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol?
(2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol has a molecular weight of 227.35 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[dicyclopropylmethyl(methyl)amino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 95626145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).