5-(but-3-enylamino)-4,4-dimethylpentan-1-ol

C11H23NO — CID 106146996

IUPAC5-(but-3-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCNCC(C)(C)CCCO
InChIInChI=1S/C11H23NO/c1-4-5-8-12-10-11(2,3)7-6-9-13/h4,12-13H,1,5-10H2,2-3H3
InChIKeyHXMFCOCVUNWSAB-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds8

About 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol

5-(but-3-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106146996) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(but-3-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID106146996
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-(but-3-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCNCC(C)(C)CCCO
InChIInChI=1S/C11H23NO/c1-4-5-8-12-10-11(2,3)7-6-9-13/h4,12-13H,1,5-10H2,2-3H3
InChIKeyHXMFCOCVUNWSAB-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
3-Methylidene-5-(propylamino)pentan-1-ol
CID 89263797
5-(Pent-4-enylamino)pentan-1-ol
CID 107317245
5-(Hept-6-enylamino)pentan-1-ol
CID 107317277
5-(But-3-enylamino)pentan-1-ol
CID 116034314
2-Methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-ol
CID 117274066
2-(3-Ethenylpiperidin-4-yl)propan-1-ol
CID 123575664
2-Methyl-2-(1,2,3,4-tetrahydropyridin-4-yl)propan-1-ol
CID 146493716
5-(Hex-5-enylamino)pentan-1-ol
CID 153618117
5-(Ethylamino)-2,2,4,4-tetramethylpentan-1-ol
CID 169886468
Ethane;2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
CID 177180640
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688

Frequently Asked Questions

What is the IUPAC name of 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol (CID 106146996) is 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol is C=CCCNCC(C)(C)CCCO.
What is the InChIKey of 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is HXMFCOCVUNWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-8-12-10-11(2,3)7-6-9-13/h4,12-13H,1,5-10H2,2-3H3.
What are the key properties of 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
5-(but-3-enylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(but-3-enylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106146996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).