3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol

C8H20N2O2 — CID 104710985

IUPAC3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol
SMILESCOCCCN(C)C(CN)CO
InChIInChI=1S/C8H20N2O2/c1-10(4-3-5-12-2)8(6-9)7-11/h8,11H,3-7,9H2,1-2H3
InChIKeySQJHUDBDJVMRTG-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.73
Rot. Bonds7

About 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol

3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol (PubChem CID 104710985) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol
PubChem CID104710985
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol
SMILESCOCCCN(C)C(CN)CO
InChIInChI=1S/C8H20N2O2/c1-10(4-3-5-12-2)8(6-9)7-11/h8,11H,3-7,9H2,1-2H3
InChIKeySQJHUDBDJVMRTG-UHFFFAOYSA-N
XLogP-0.73
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[2-methoxyethyl(methyl)amino]propan-1-ol
CID 104710884
4-amino-3-[3-methoxypropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431256
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
1-(3,5-dimethylphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 62984275
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
CID 66268426
5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
CID 107198475
N-(3-methoxypropyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 62984095
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 103227183
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol?
The IUPAC name of 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol (CID 104710985) is 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol is COCCCN(C)C(CN)CO.
What is the InChIKey of 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol?
The InChIKey is SQJHUDBDJVMRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-10(4-3-5-12-2)8(6-9)7-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol?
3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol has a molecular weight of 176.26 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 104710985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).