2-(1-aminoethyl)-3-methylbutan-1-ol

C7H17NO — CID 116945571

IUPAC2-(1-aminoethyl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)C(C)N
InChIInChI=1S/C7H17NO/c1-5(2)7(4-9)6(3)8/h5-7,9H,4,8H2,1-3H3
InChIKeyAJYASVRMFPNDGX-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.60
Rot. Bonds3

About 2-(1-aminoethyl)-3-methylbutan-1-ol

2-(1-aminoethyl)-3-methylbutan-1-ol (PubChem CID 116945571) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-methylbutan-1-ol
PubChem CID116945571
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-(1-aminoethyl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)C(C)N
InChIInChI=1S/C7H17NO/c1-5(2)7(4-9)6(3)8/h5-7,9H,4,8H2,1-3H3
InChIKeyAJYASVRMFPNDGX-UHFFFAOYSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-(hydroxymethyl)-4-methylpentanoic acid
CID 131231162
(2S,3R)-3-propan-2-ylbutane-1,2,4-triol
CID 10558771
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
4-methyl-3-propan-2-ylpentan-1-ol
CID 20683771
2-propan-2-ylheptane-1,3,4,5-tetrol
CID 118683322
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
(2R,3R)-3-aminobutane-1,2-diol
CID 14325608
5-methyl-3-propan-2-ylheptan-2-amine
CID 62913811
4-methyl-3-(methylamino)-2-propan-2-ylpentan-1-ol
CID 116960105
(2R)-3-methylbutan-2-amine
CID 6999786

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(1-aminoethyl)-3-methylbutan-1-ol (CID 116945571) is 2-(1-aminoethyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(1-aminoethyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(1-aminoethyl)-3-methylbutan-1-ol is CC(C)C(CO)C(C)N.
What is the InChIKey of 2-(1-aminoethyl)-3-methylbutan-1-ol?
The InChIKey is AJYASVRMFPNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5(2)7(4-9)6(3)8/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-3-methylbutan-1-ol?
2-(1-aminoethyl)-3-methylbutan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-methylbutan-1-ol is sourced from PubChem (CID 116945571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).