5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol

C11H24N2O — CID 107203626

IUPAC5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
SMILESC=C(CNC)CN(C)CCCCCO
InChIInChI=1S/C11H24N2O/c1-11(9-12-2)10-13(3)7-5-4-6-8-14/h12,14H,1,4-10H2,2-3H3
InChIKeyYSRYVMXKNGXTLS-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.86
Rot. Bonds9

About 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol

5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol (PubChem CID 107203626) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
PubChem CID107203626
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
SMILESC=C(CNC)CN(C)CCCCCO
InChIInChI=1S/C11H24N2O/c1-11(9-12-2)10-13(3)7-5-4-6-8-14/h12,14H,1,4-10H2,2-3H3
InChIKeyYSRYVMXKNGXTLS-UHFFFAOYSA-N
XLogP0.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
CID 107203875
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
CID 103071457
2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069188
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070368
N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine
CID 103070697
1-[[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]methyl]cyclopentan-1-ol
CID 103071409
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
2-[5-hydroxypentyl(methyl)amino]ethanimidamide
CID 107200220

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol (CID 107203626) is 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol is C=C(CNC)CN(C)CCCCCO.
What is the InChIKey of 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol?
The InChIKey is YSRYVMXKNGXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(9-12-2)10-13(3)7-5-4-6-8-14/h12,14H,1,4-10H2,2-3H3.
What are the key properties of 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol?
5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol is sourced from PubChem (CID 107203626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).