4-methyl-3-(2-methylidenebutylamino)pentan-1-ol

C11H23NO — CID 104892117

IUPAC4-methyl-3-(2-methylidenebutylamino)pentan-1-ol
SMILESC=C(CC)CNC(CCO)C(C)C
InChIInChI=1S/C11H23NO/c1-5-10(4)8-12-11(6-7-13)9(2)3/h9,11-13H,4-8H2,1-3H3
InChIKeyHGJGMMHMXCLTMR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds7

About 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol

4-methyl-3-(2-methylidenebutylamino)pentan-1-ol (PubChem CID 104892117) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(2-methylidenebutylamino)pentan-1-ol
PubChem CID104892117
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-3-(2-methylidenebutylamino)pentan-1-ol
SMILESC=C(CC)CNC(CCO)C(C)C
InChIInChI=1S/C11H23NO/c1-5-10(4)8-12-11(6-7-13)9(2)3/h9,11-13H,4-8H2,1-3H3
InChIKeyHGJGMMHMXCLTMR-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

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CID 44825384
2-((2R,4R)-4-methyl-3-methylenepyrrolidin-2-yl)ethanol
CID 46902161
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
2-methyl-1-[[(3R)-2-methylpent-1-en-3-yl]amino]propan-1-ol
CID 156459956
3-(3-Methylbut-3-en-2-ylamino)propan-1-ol
CID 167159710
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-(prop-2-enylamino)pentan-1-ol
CID 62141821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol (CID 104892117) is 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol is C=C(CC)CNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
The InChIKey is HGJGMMHMXCLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(4)8-12-11(6-7-13)9(2)3/h9,11-13H,4-8H2,1-3H3.
What are the key properties of 4-methyl-3-(2-methylidenebutylamino)pentan-1-ol?
4-methyl-3-(2-methylidenebutylamino)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-(2-methylidenebutylamino)pentan-1-ol is sourced from PubChem (CID 104892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).