(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol

C10H21NO2 — CID 104981008

IUPAC(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC(COC)C1CC1
InChIInChI=1S/C10H21NO2/c1-3-9(6-12)11-10(7-13-2)8-4-5-8/h8-12H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyIPZIMOYOESLPPB-RGURZIINSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds7

About (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol

(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol (PubChem CID 104981008) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol
PubChem CID104981008
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC(COC)C1CC1
InChIInChI=1S/C10H21NO2/c1-3-9(6-12)11-10(7-13-2)8-4-5-8/h8-12H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyIPZIMOYOESLPPB-RGURZIINSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
(2R)-2-[(1-cyclopropyl-2-methylpropyl)amino]butan-1-ol
CID 103922421
5-[(1-cyclopropyl-2-methoxyethyl)amino]-2-methylpentan-1-ol
CID 103905399
2-(1-cyclopropylpropylamino)-3-methoxypropanamide
CID 115929773
N-[(1S)-1-cyclopentylethyl]-1-cyclopropyl-2-methoxyethanamine
CID 81386494
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643
N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426
3-(1-cyclopropylbutylamino)pentan-1-ol
CID 115770052
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
2-N-(1-cyclopropyl-2-methoxyethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946294
[1-[[(1-cyclopropyl-2-methoxyethyl)amino]methyl]cyclopropyl]methanol
CID 81343057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol (CID 104981008) is (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol is CC[C@@H](CO)NC(COC)C1CC1.
What is the InChIKey of (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol?
The InChIKey is IPZIMOYOESLPPB-RGURZIINSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-9(6-12)11-10(7-13-2)8-4-5-8/h8-12H,3-7H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol?
(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol is sourced from PubChem (CID 104981008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).