4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol

C9H21NO2 — CID 165445412

IUPAC4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol
SMILESCCC(CN)C(O)C(C)(C)OC
InChIInChI=1S/C9H21NO2/c1-5-7(6-10)8(11)9(2,3)12-4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyVBJUONWCBDISOH-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.76
Rot. Bonds5

About 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol

4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol (PubChem CID 165445412) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol
PubChem CID165445412
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol
SMILESCCC(CN)C(O)C(C)(C)OC
InChIInChI=1S/C9H21NO2/c1-5-7(6-10)8(11)9(2,3)12-4/h7-8,11H,5-6,10H2,1-4H3
InChIKeyVBJUONWCBDISOH-UHFFFAOYSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-methoxy-3-methylbutan-2-ol
CID 55285086
4-(aminomethyl)-2-methyl-2-methylsulfonylhexan-3-ol
CID 65187700
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
1-amino-4-methoxy-4-methylpentan-3-ol
CID 130647917
3-(aminomethyl)-6,7,7-trimethyloctan-4-ol
CID 65188124
2-ethyl-3-methoxybutan-1-amine
CID 88936076
3-(aminomethyl)heptan-4-ol
CID 54499673
(2-methoxy-2-methylpentan-3-yl)hydrazine
CID 105245393
5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
1-chloro-3-(2-methoxypropan-2-yl)-4-methylhexan-2-ol
CID 123933686
2-methoxy-2-methyl-5-methylideneheptan-3-amine
CID 79197661
tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
CID 59026228

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol?
The IUPAC name of 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol (CID 165445412) is 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol is CCC(CN)C(O)C(C)(C)OC.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol?
The InChIKey is VBJUONWCBDISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-7(6-10)8(11)9(2,3)12-4/h7-8,11H,5-6,10H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol?
4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol has a molecular weight of 175.27 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol is sourced from PubChem (CID 165445412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).