3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol

C10H23NO2 — CID 114852616

IUPAC3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol
SMILESCOCCCC(O)(CN)C(C)(C)C
InChIInChI=1S/C10H23NO2/c1-9(2,3)10(12,8-11)6-5-7-13-4/h12H,5-8,11H2,1-4H3
InChIKeyDCBZIDYFBDQBNN-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.15
Rot. Bonds5

About 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol

3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol (PubChem CID 114852616) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol
PubChem CID114852616
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol
SMILESCOCCCC(O)(CN)C(C)(C)C
InChIInChI=1S/C10H23NO2/c1-9(2,3)10(12,8-11)6-5-7-13-4/h12H,5-8,11H2,1-4H3
InChIKeyDCBZIDYFBDQBNN-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.15
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-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
6-methoxy-3-methylhexan-3-ol
CID 114851780
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
1-ethoxy-5-methoxy-2-methylpentan-2-ol
CID 114852753
6-methoxy-2-methyl-2-propylhexan-1-amine
CID 104649289
6-methoxy-2-methylhexan-2-amine
CID 94975413
4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine
CID 65249124
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
1-bromo-2-(bromomethyl)-5-methoxy-2-methylpentane
CID 79453623
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
azane;3-methoxypropan-1-amine
CID 172866087

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol (CID 114852616) is 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol is COCCCC(O)(CN)C(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol?
The InChIKey is DCBZIDYFBDQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(2,3)10(12,8-11)6-5-7-13-4/h12H,5-8,11H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol?
3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol has a molecular weight of 189.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methoxy-2,2-dimethylhexan-3-ol is sourced from PubChem (CID 114852616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).