1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol

C12H25NO2 — CID 146322364

IUPAC1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol
SMILESCCC(CC)OC/C(C)=C/NCC(C)O
InChIInChI=1S/C12H25NO2/c1-5-12(6-2)15-9-10(3)7-13-8-11(4)14/h7,11-14H,5-6,8-9H2,1-4H3/b10-7+
InChIKeyNIFXPKVFSHOJTA-JXMROGBWSA-N
MW215.34 g/mol
LogP2.07
Rot. Bonds8

About 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol

1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol (PubChem CID 146322364) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol
PubChem CID146322364
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol
SMILESCCC(CC)OC/C(C)=C/NCC(C)O
InChIInChI=1S/C12H25NO2/c1-5-12(6-2)15-9-10(3)7-13-8-11(4)14/h7,11-14H,5-6,8-9H2,1-4H3/b10-7+
InChIKeyNIFXPKVFSHOJTA-JXMROGBWSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylprop-2-enoxy)pentane
CID 123638560
5-pentan-3-yloxypentan-2-ol
CID 175260271
2-(3-hydroxy-1-pentan-3-yloxybutan-2-yl)oxypropane-1,1-diol
CID 138744605
butan-2-ol;1-(methylamino)propan-2-ol
CID 143199215
2-methyl-1-pentan-3-yloxybutane
CID 23377308
methyl (E)-3-[[(2S)-2-hydroxypropyl]amino]but-2-enoate
CID 13220319
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
CID 157498325
CID 157498325
pentakis(butan-2-ol);molybdenum
CID 152613437
tris(pentane-2,4-diol);ruthenium
CID 5231187
aluminum butan-2-ol
CID 23623700

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol?
The IUPAC name of 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol (CID 146322364) is 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol?
The canonical SMILES for 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol is CCC(CC)OC/C(C)=C/NCC(C)O.
What is the InChIKey of 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol?
The InChIKey is NIFXPKVFSHOJTA-JXMROGBWSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-12(6-2)15-9-10(3)7-13-8-11(4)14/h7,11-14H,5-6,8-9H2,1-4H3/b10-7+.
What are the key properties of 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol?
1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2-methyl-3-pentan-3-yloxyprop-1-enyl]amino]propan-2-ol is sourced from PubChem (CID 146322364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).