2-(aminomethyl)-4-propan-2-yloxybutan-1-ol

C8H19NO2 — CID 63215885

IUPAC2-(aminomethyl)-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(CN)CO
InChIInChI=1S/C8H19NO2/c1-7(2)11-4-3-8(5-9)6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyPMWSQIKBKNWLAN-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.37
Rot. Bonds6

About 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol

2-(aminomethyl)-4-propan-2-yloxybutan-1-ol (PubChem CID 63215885) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-propan-2-yloxybutan-1-ol
PubChem CID63215885
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-(aminomethyl)-4-propan-2-yloxybutan-1-ol
SMILESCC(C)OCCC(CN)CO
InChIInChI=1S/C8H19NO2/c1-7(2)11-4-3-8(5-9)6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyPMWSQIKBKNWLAN-UHFFFAOYSA-N
XLogP0.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol (CID 63215885) is 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol is CC(C)OCCC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol?
The InChIKey is PMWSQIKBKNWLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2)11-4-3-8(5-9)6-10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol?
2-(aminomethyl)-4-propan-2-yloxybutan-1-ol has a molecular weight of 161.25 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-propan-2-yloxybutan-1-ol is sourced from PubChem (CID 63215885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).