1-amino-3-butoxypropan-2-ol

C7H17NO2 — CID 19910807

IUPAC1-amino-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN
InChIInChI=1S/C7H17NO2/c1-2-3-4-10-6-7(9)5-8/h7,9H,2-6,8H2,1H3
InChIKeyOQUPTZQPAWAAMK-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.12
Rot. Bonds6

About 1-amino-3-butoxypropan-2-ol

1-amino-3-butoxypropan-2-ol (PubChem CID 19910807) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-amino-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-amino-3-butoxypropan-2-ol
PubChem CID19910807
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-amino-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN
InChIInChI=1S/C7H17NO2/c1-2-3-4-10-6-7(9)5-8/h7,9H,2-6,8H2,1H3
InChIKeyOQUPTZQPAWAAMK-UHFFFAOYSA-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

Ethanol, 2-[2-(3-aminopropoxy)ethoxy]-
CID 66985
1-Amino-3-(propan-2-yloxy)propan-2-ol
CID 662350
1-Amino-3-methoxypropan-2-ol
CID 124510
2-Propanol, 1-amino-3-(cyclopentyloxy)-
CID 3021401
(2R)-1-amino-3-methoxypropan-2-ol
CID 1891101
1-Amino-3-(2-methylpropoxy)propan-2-ol
CID 14142114
1-Amino-3-ethoxypropan-2-ol
CID 15683480
1-Amino-3-(tert-butoxy)propan-2-ol
CID 19012483
4-Amino-1-methoxybutan-2-ol
CID 63947278
1-Amino-3-(2-(2-methoxyethoxy)ethoxy)propan-2-ol
CID 112693098
1-Amino-3-ethoxy-propan-2-ol hydrochloride
CID 20345745
1-Amino-3-(2-ethoxyethoxy)propan-2-OL
CID 20116620

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butoxypropan-2-ol?
The IUPAC name of 1-amino-3-butoxypropan-2-ol (CID 19910807) is 1-amino-3-butoxypropan-2-ol.
What is the SMILES notation for 1-amino-3-butoxypropan-2-ol?
The canonical SMILES for 1-amino-3-butoxypropan-2-ol is CCCCOCC(O)CN.
What is the InChIKey of 1-amino-3-butoxypropan-2-ol?
The InChIKey is OQUPTZQPAWAAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-3-4-10-6-7(9)5-8/h7,9H,2-6,8H2,1H3.
What are the key properties of 1-amino-3-butoxypropan-2-ol?
1-amino-3-butoxypropan-2-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 1-amino-3-butoxypropan-2-ol is sourced from PubChem (CID 19910807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).