4-amino-1-methoxy-2,6-dimethylheptan-3-ol

C10H23NO2 — CID 116502132

IUPAC4-amino-1-methoxy-2,6-dimethylheptan-3-ol
SMILESCOCC(C)C(O)C(N)CC(C)C
InChIInChI=1S/C10H23NO2/c1-7(2)5-9(11)10(12)8(3)6-13-4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyNIZYWALAFBGEOZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.00
Rot. Bonds6

About 4-amino-1-methoxy-2,6-dimethylheptan-3-ol

4-amino-1-methoxy-2,6-dimethylheptan-3-ol (PubChem CID 116502132) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-amino-1-methoxy-2,6-dimethylheptan-3-ol.

Molecular Properties

Compound Name4-amino-1-methoxy-2,6-dimethylheptan-3-ol
PubChem CID116502132
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name4-amino-1-methoxy-2,6-dimethylheptan-3-ol
SMILESCOCC(C)C(O)C(N)CC(C)C
InChIInChI=1S/C10H23NO2/c1-7(2)5-9(11)10(12)8(3)6-13-4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyNIZYWALAFBGEOZ-UHFFFAOYSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
(2R,3S,4S)-4-amino-2,6-dimethylheptane-1,3-diol
CID 137347836
ethyl 2-amino-3-hydroxy-5-methoxy-4-methylpentanoate
CID 116502135
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
1-methoxypropan-2-ol chloride
CID 23303898
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-4-methylpentane-1,2-diamine
CID 166706946
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-2,6-dimethylheptan-3-ol?
The IUPAC name of 4-amino-1-methoxy-2,6-dimethylheptan-3-ol (CID 116502132) is 4-amino-1-methoxy-2,6-dimethylheptan-3-ol.
What is the SMILES notation for 4-amino-1-methoxy-2,6-dimethylheptan-3-ol?
The canonical SMILES for 4-amino-1-methoxy-2,6-dimethylheptan-3-ol is COCC(C)C(O)C(N)CC(C)C.
What is the InChIKey of 4-amino-1-methoxy-2,6-dimethylheptan-3-ol?
The InChIKey is NIZYWALAFBGEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-7(2)5-9(11)10(12)8(3)6-13-4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 4-amino-1-methoxy-2,6-dimethylheptan-3-ol?
4-amino-1-methoxy-2,6-dimethylheptan-3-ol has a molecular weight of 189.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-2,6-dimethylheptan-3-ol is sourced from PubChem (CID 116502132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).