2-(ethylaminomethyl)butane-1,3-diol

C7H17NO2 — CID 139939202

IUPAC2-(ethylaminomethyl)butane-1,3-diol
SMILESCCNCC(CO)C(C)O
InChIInChI=1S/C7H17NO2/c1-3-8-4-7(5-9)6(2)10/h6-10H,3-5H2,1-2H3
InChIKeyFCUDXCIOGVSKQR-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.41
Rot. Bonds5

About 2-(ethylaminomethyl)butane-1,3-diol

2-(ethylaminomethyl)butane-1,3-diol (PubChem CID 139939202) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(ethylaminomethyl)butane-1,3-diol.

Molecular Properties

Compound Name2-(ethylaminomethyl)butane-1,3-diol
PubChem CID139939202
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-(ethylaminomethyl)butane-1,3-diol
SMILESCCNCC(CO)C(C)O
InChIInChI=1S/C7H17NO2/c1-3-8-4-7(5-9)6(2)10/h6-10H,3-5H2,1-2H3
InChIKeyFCUDXCIOGVSKQR-UHFFFAOYSA-N
XLogP-0.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
3-(diethylamino)-4-(ethylamino)butan-2-ol
CID 121467548
CID 90452338
CID 90452338
1-bromo-2-(ethylamino)ethanol
CID 151846776
3-(ethylamino)-2-methylpropanamide
CID 43311981
3-(ethylamino)-2-methoxypropan-1-ol
CID 135215408
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
1,2-bis(ethylamino)ethanol
CID 130275854
2-[[3-hydroxy-2-(hydroxymethyl)butyl]sulfanylmethyl]butane-1,3-diol
CID 88767613
N-ethylethanamine;propan-2-ol;titanium
CID 59928872

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)butane-1,3-diol?
The IUPAC name of 2-(ethylaminomethyl)butane-1,3-diol (CID 139939202) is 2-(ethylaminomethyl)butane-1,3-diol.
What is the SMILES notation for 2-(ethylaminomethyl)butane-1,3-diol?
The canonical SMILES for 2-(ethylaminomethyl)butane-1,3-diol is CCNCC(CO)C(C)O.
What is the InChIKey of 2-(ethylaminomethyl)butane-1,3-diol?
The InChIKey is FCUDXCIOGVSKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-8-4-7(5-9)6(2)10/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)butane-1,3-diol?
2-(ethylaminomethyl)butane-1,3-diol has a molecular weight of 147.22 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)butane-1,3-diol is sourced from PubChem (CID 139939202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).