3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol

C12H28N2O2 — CID 114357181

IUPAC3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
SMILESCOCCCN(C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2,3)11(13)10(9-15)14(4)7-6-8-16-5/h10-11,15H,6-9,13H2,1-5H3
InChIKeyOLVVMGUPPFRZDV-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.69
Rot. Bonds7

About 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol

3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 114357181) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID114357181
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
SMILESCOCCCN(C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C12H28N2O2/c1-12(2,3)11(13)10(9-15)14(4)7-6-8-16-5/h10-11,15H,6-9,13H2,1-5H3
InChIKeyOLVVMGUPPFRZDV-UHFFFAOYSA-N
XLogP0.69
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.69
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-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine
CID 62985674
3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 114356743
3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol
CID 104710985
3-amino-2-(3-methoxypropoxy)-4,4-dimethylpentan-1-ol
CID 114358200
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol
CID 102992599
3-amino-2-[bis(2-methoxyethyl)amino]butan-1-ol
CID 64899164
3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
CID 114356672

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol (CID 114357181) is 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol is COCCCN(C)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is OLVVMGUPPFRZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(2,3)11(13)10(9-15)14(4)7-6-8-16-5/h10-11,15H,6-9,13H2,1-5H3.
What are the key properties of 3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol?
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 0.69, 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]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114357181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).