5-(2-methylbutan-2-ylamino)hept-1-en-3-ol

C12H25NO — CID 146505716

IUPAC5-(2-methylbutan-2-ylamino)hept-1-en-3-ol
SMILESC=CC(O)CC(CC)NC(C)(C)CC
InChIInChI=1S/C12H25NO/c1-6-10(9-11(14)7-2)13-12(4,5)8-3/h7,10-11,13-14H,2,6,8-9H2,1,3-5H3
InChIKeyYEWHDQJHIJBARV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.48
Rot. Bonds7

About 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol

5-(2-methylbutan-2-ylamino)hept-1-en-3-ol (PubChem CID 146505716) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol.

Molecular Properties

Compound Name5-(2-methylbutan-2-ylamino)hept-1-en-3-ol
PubChem CID146505716
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(2-methylbutan-2-ylamino)hept-1-en-3-ol
SMILESC=CC(O)CC(CC)NC(C)(C)CC
InChIInChI=1S/C12H25NO/c1-6-10(9-11(14)7-2)13-12(4,5)8-3/h7,10-11,13-14H,2,6,8-9H2,1,3-5H3
InChIKeyYEWHDQJHIJBARV-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.48
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 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol?
The IUPAC name of 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol (CID 146505716) is 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol.
What is the SMILES notation for 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol?
The canonical SMILES for 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol is C=CC(O)CC(CC)NC(C)(C)CC.
What is the InChIKey of 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol?
The InChIKey is YEWHDQJHIJBARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-10(9-11(14)7-2)13-12(4,5)8-3/h7,10-11,13-14H,2,6,8-9H2,1,3-5H3.
What are the key properties of 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol?
5-(2-methylbutan-2-ylamino)hept-1-en-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-ylamino)hept-1-en-3-ol is sourced from PubChem (CID 146505716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).