(2S)-2-amino-3-butoxypropan-1-ol

C7H17NO2 — CID 89011091

IUPAC(2S)-2-amino-3-butoxypropan-1-ol
SMILESCCCCOC[C@@H](N)CO
InChIInChI=1S/C7H17NO2/c1-2-3-4-10-6-7(8)5-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyJQYRKRFIRMWQIV-ZETCQYMHSA-N
MW147.22 g/mol
LogP0.12
Rot. Bonds6

About (2S)-2-amino-3-butoxypropan-1-ol

(2S)-2-amino-3-butoxypropan-1-ol (PubChem CID 89011091) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-2-amino-3-butoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-butoxypropan-1-ol
PubChem CID89011091
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-2-amino-3-butoxypropan-1-ol
SMILESCCCCOC[C@@H](N)CO
InChIInChI=1S/C7H17NO2/c1-2-3-4-10-6-7(8)5-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyJQYRKRFIRMWQIV-ZETCQYMHSA-N
XLogP0.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
2-amino-3-(3-hydroxypropoxy)propan-1-ol
CID 130579095
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-1-ol
CID 112704571
1-methoxy-3-pentoxypropan-2-amine
CID 107506771
2-(butoxymethyl)butan-1-ol
CID 20660357
2-butoxy-1-chloroethanamine
CID 174226155
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
1-heptoxypentan-2-amine
CID 62044754
(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol
CID 59968163
1-(2-butoxyethoxy)propan-2-amine
CID 43127528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-butoxypropan-1-ol?
The IUPAC name of (2S)-2-amino-3-butoxypropan-1-ol (CID 89011091) is (2S)-2-amino-3-butoxypropan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-butoxypropan-1-ol?
The canonical SMILES for (2S)-2-amino-3-butoxypropan-1-ol is CCCCOC[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-butoxypropan-1-ol?
The InChIKey is JQYRKRFIRMWQIV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-3-4-10-6-7(8)5-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-butoxypropan-1-ol?
(2S)-2-amino-3-butoxypropan-1-ol has a molecular weight of 147.22 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-butoxypropan-1-ol is sourced from PubChem (CID 89011091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).