5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol

C11H26N2O2 — CID 107317060

IUPAC5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol
SMILESCCC(CN)(COC)NCCCCCO
InChIInChI=1S/C11H26N2O2/c1-3-11(9-12,10-15-2)13-7-5-4-6-8-14/h13-14H,3-10,12H2,1-2H3
InChIKeyNJWKXSHJDGTBPK-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.49
Rot. Bonds10

About 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol

5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol (PubChem CID 107317060) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol
PubChem CID107317060
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol
SMILESCCC(CN)(COC)NCCCCCO
InChIInChI=1S/C11H26N2O2/c1-3-11(9-12,10-15-2)13-7-5-4-6-8-14/h13-14H,3-10,12H2,1-2H3
InChIKeyNJWKXSHJDGTBPK-UHFFFAOYSA-N
XLogP0.49
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(4-hydroxybutylamino)propane-1,3-diol
CID 107865357
4-[(1-amino-2-cyclopropyl-3-methoxypropan-2-yl)amino]butan-1-ol
CID 106841438
2-(hydroxymethyl)-2-(5-hydroxypentylamino)propane-1,3-diol
CID 107852422
3-(methoxymethyl)-3-(propylamino)pentanamide
CID 65236050
4-[(1-amino-2-cyclopropylbutan-2-yl)amino]butan-1-ol
CID 106841433
12-(tert-butylamino)dodecan-1-ol
CID 159274393
3-(methoxymethyl)-3-(propylamino)pentanoic acid
CID 65233525
N-[1-chloro-2-(chloromethyl)butan-2-yl]heptan-1-amine
CID 107867089
N-(1-methoxy-2-methylpropan-2-yl)hexan-1-amine
CID 115644983
2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol
CID 106841375
methoxymethane;octane-1,8-diol
CID 175193596

Frequently Asked Questions

What is the IUPAC name of 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol (CID 107317060) is 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol is CCC(CN)(COC)NCCCCCO.
What is the InChIKey of 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol?
The InChIKey is NJWKXSHJDGTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-3-11(9-12,10-15-2)13-7-5-4-6-8-14/h13-14H,3-10,12H2,1-2H3.
What are the key properties of 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol?
5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-amino-2-(methoxymethyl)butan-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 107317060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).