4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol

C10H21NO — CID 106146559

IUPAC4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol
SMILESC=CC(C)NCC(C)(C)CCO
InChIInChI=1S/C10H21NO/c1-5-9(2)11-8-10(3,4)6-7-12/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeyQGRDFUXBXNXKAF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds6

About 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol

4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106146559) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol
PubChem CID106146559
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol
SMILESC=CC(C)NCC(C)(C)CCO
InChIInChI=1S/C10H21NO/c1-5-9(2)11-8-10(3,4)6-7-12/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeyQGRDFUXBXNXKAF-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.56
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-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol (CID 106146559) is 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol is C=CC(C)NCC(C)(C)CCO.
What is the InChIKey of 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is QGRDFUXBXNXKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9(2)11-8-10(3,4)6-7-12/h5,9,11-12H,1,6-8H2,2-4H3.
What are the key properties of 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol?
4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-en-2-ylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).