4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol

C11H23NO — CID 107152468

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

About 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol

4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol (PubChem CID 107152468) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
PubChem CID107152468
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
SMILESC=C(C)CCNCC(O)CC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)5-6-12-8-11(13)7-10(3)4/h10-13H,1,5-8H2,2-4H3
InChIKeyBQZMAPFXWMQRGP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol
CID 146962712
1-(2,5-Dimethylhex-5-en-3-ylamino)propan-2-ol
CID 18354641
(2R)-1-(2-hydroxyethylamino)-4-methylpentan-2-ol
CID 53682118
1-(2-Hydroxypropylamino)-4-methylpentan-2-ol
CID 60108472
4-Methyl-1-(2-methylpropylamino)pentan-2-ol
CID 62774142
1-(2-Hydroxyethylamino)-4-methylpentan-2-ol
CID 76059536
(2S)-1-(2-hydroxyethylamino)-4-methylpentan-2-ol
CID 88784666
1-[2-[2-Aminoethyl(methyl)amino]ethylamino]-5-methyl-3-methylidenehexan-2-ol
CID 91374879
4-Methyl-1-(methylamino)pent-4-en-2-ol
CID 134463398
1-[(2-Hydroxy-4-methylpentyl)amino]-4-methylpentan-2-ol
CID 139916385
1-(Ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene
CID 145466255
4,4-dimethyl-1-[[(E)-pent-3-enyl]amino]pentan-2-ol
CID 156348432

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol (CID 107152468) is 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol is C=C(C)CCNCC(O)CC(C)C.
What is the InChIKey of 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
The InChIKey is BQZMAPFXWMQRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)5-6-12-8-11(13)7-10(3)4/h10-13H,1,5-8H2,2-4H3.
What are the key properties of 4-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
4-methyl-1-(3-methylbut-3-enylamino)pentan-2-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-1-(3-methylbut-3-enylamino)pentan-2-ol is sourced from PubChem (CID 107152468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).