4-amino-2-methylidenebutan-1-ol

C5H11NO — CID 55285553

IUPAC4-amino-2-methylidenebutan-1-ol
SMILESC=C(CO)CCN
InChIInChI=1S/C5H11NO/c1-5(4-7)2-3-6/h7H,1-4,6H2
InChIKeyRTCQIVBCNHJCJL-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.12
Rot. Bonds3

About 4-amino-2-methylidenebutan-1-ol

4-amino-2-methylidenebutan-1-ol (PubChem CID 55285553) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 4-amino-2-methylidenebutan-1-ol.

Molecular Properties

Compound Name4-amino-2-methylidenebutan-1-ol
PubChem CID55285553
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name4-amino-2-methylidenebutan-1-ol
SMILESC=C(CO)CCN
InChIInChI=1S/C5H11NO/c1-5(4-7)2-3-6/h7H,1-4,6H2
InChIKeyRTCQIVBCNHJCJL-UHFFFAOYSA-N
XLogP-0.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylidenebutan-1-ol?
The IUPAC name of 4-amino-2-methylidenebutan-1-ol (CID 55285553) is 4-amino-2-methylidenebutan-1-ol.
What is the SMILES notation for 4-amino-2-methylidenebutan-1-ol?
The canonical SMILES for 4-amino-2-methylidenebutan-1-ol is C=C(CO)CCN.
What is the InChIKey of 4-amino-2-methylidenebutan-1-ol?
The InChIKey is RTCQIVBCNHJCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(4-7)2-3-6/h7H,1-4,6H2.
What are the key properties of 4-amino-2-methylidenebutan-1-ol?
4-amino-2-methylidenebutan-1-ol has a molecular weight of 101.15 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylidenebutan-1-ol is sourced from PubChem (CID 55285553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).