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

C11H23NO — CID 104628256

IUPAC3-(but-3-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCNC(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-5-6-8-12-10(7-9-13)11(2,3)4/h5,10,12-13H,1,6-9H2,2-4H3
InChIKeyDCPQQIDLIQYDSO-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds6

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

3-(but-3-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 104628256) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(but-3-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID104628256
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(but-3-enylamino)-4,4-dimethylpentan-1-ol
SMILESC=CCCNC(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-5-6-8-12-10(7-9-13)11(2,3)4/h5,10,12-13H,1,6-9H2,2-4H3
InChIKeyDCPQQIDLIQYDSO-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-(But-3-enylamino)-3,3-dimethylbutan-1-ol
CID 57591314
3-(But-3-enylamino)butan-1-ol
CID 83177296
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
3-((2-Methylhex-5-en-3-yl)amino)propan-1-ol
CID 2772048
3-Methyl-2-(2-methylhex-5-en-3-ylamino)butan-1-ol
CID 4711939
2-(2-Methylhex-5-en-3-ylamino)butan-1-ol
CID 4712388
3-hydroxypropyl-[(3R)-2-methylhex-5-en-3-yl]azanium
CID 7061517
3-[[(3R)-2-methylhex-5-en-3-yl]amino]propan-1-ol
CID 7061518
3-hydroxypropyl-[(3S)-2-methylhex-5-en-3-yl]azanium
CID 7061519
3-[[(3S)-2-methylhex-5-en-3-yl]amino]propan-1-ol
CID 7061520
2-(But-3-enylamino)-4-methylpentan-1-ol
CID 64313735

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol (CID 104628256) is 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol is C=CCCNC(CCO)C(C)(C)C.
What is the InChIKey of 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is DCPQQIDLIQYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-8-12-10(7-9-13)11(2,3)4/h5,10,12-13H,1,6-9H2,2-4H3.
What are the key properties of 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol?
3-(but-3-enylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-enylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104628256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).