3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol

C10H23NO2 — CID 115705201

IUPAC3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
SMILESCOCCC(NCCCO)C(C)C
InChIInChI=1S/C10H23NO2/c1-9(2)10(5-8-13-3)11-6-4-7-12/h9-12H,4-8H2,1-3H3
InChIKeyIMFPGBSGIJBMHL-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.02
Rot. Bonds8

About 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol

3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol (PubChem CID 115705201) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
PubChem CID115705201
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
SMILESCOCCC(NCCCO)C(C)C
InChIInChI=1S/C10H23NO2/c1-9(2)10(5-8-13-3)11-6-4-7-12/h9-12H,4-8H2,1-3H3
InChIKeyIMFPGBSGIJBMHL-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
N-(1-methoxy-4-methylpentan-3-yl)-4,4-dimethylpentan-1-amine
CID 115891442
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
CID 81339100
3-(2-methylhex-5-en-3-ylamino)propan-1-ol
CID 2772048
4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470448
2-[(1-methoxy-4-methylpentan-3-yl)amino]-N-methylacetamide
CID 115706789
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
CID 115718065

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol?
The IUPAC name of 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol (CID 115705201) is 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol is COCCC(NCCCO)C(C)C.
What is the InChIKey of 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol?
The InChIKey is IMFPGBSGIJBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2)10(5-8-13-3)11-6-4-7-12/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol?
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 115705201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).