4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol

C11H23NO — CID 104926876

IUPAC4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
SMILESC=C(C)CCNC(CCO)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)5-7-12-11(6-8-13)10(3)4/h10-13H,1,5-8H2,2-4H3
InChIKeyUAWZYWIURQZKKJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds7

About 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol

4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol (PubChem CID 104926876) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
PubChem CID104926876
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
SMILESC=C(C)CCNC(CCO)C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)5-7-12-11(6-8-13)10(3)4/h10-13H,1,5-8H2,2-4H3
InChIKeyUAWZYWIURQZKKJ-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethane;4-methyl-2-(methylamino)pent-4-en-1-ol
CID 142030684
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
4-(Tert-butylamino)-5-methylhex-1-en-2-ol
CID 169613047
6-Methyl-5-(propan-2-ylamino)hept-1-en-3-ol
CID 171659799
3-((2-Methylhex-5-en-3-yl)amino)propan-1-ol
CID 2772048
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
4-Methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
2-(But-3-enylamino)-4-methylpentan-1-ol
CID 64313735
4-Methyl-2-(pent-4-enylamino)pentan-1-ol
CID 64313736

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol (CID 104926876) is 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol is C=C(C)CCNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol?
The InChIKey is UAWZYWIURQZKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)5-7-12-11(6-8-13)10(3)4/h10-13H,1,5-8H2,2-4H3.
What are the key properties of 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol?
4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbut-3-enylamino)pentan-1-ol is sourced from PubChem (CID 104926876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).