(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol

C11H25NO2 — CID 134572706

IUPAC(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol
SMILESCCCC[C@H](N)CC(O)OC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-7-9(12)8-10(13)14-11(2,3)4/h9-10,13H,5-8,12H2,1-4H3/t9-,10?/m0/s1
InChIKeyCSWZVXBLJRGQQV-RGURZIINSA-N
MW203.33 g/mol
LogP2.03
Rot. Bonds6

About (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol

(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol (PubChem CID 134572706) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol
PubChem CID134572706
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol
SMILESCCCC[C@H](N)CC(O)OC(C)(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-7-9(12)8-10(13)14-11(2,3)4/h9-10,13H,5-8,12H2,1-4H3/t9-,10?/m0/s1
InChIKeyCSWZVXBLJRGQQV-RGURZIINSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5R,7S)-7-aminoundecan-5-ol
CID 13234597
3-aminodocosane-1,1-diol
CID 141352297
icosane-5,10,16-triamine
CID 88870264
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
3-(3-methyl-2,5-dihydro-1,2,4-triazin-6-yl)-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol
CID 138739557
3,3-dimethylpentane;2-methylhexane
CID 158289309
1-methoxy-2-methyloctan-4-amine
CID 105125248
15,15-dimethylnonacosan-10-amine
CID 175397632
tert-butyl (3S)-3-aminodecanoate
CID 165357180
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl 2-butyloctanoate
CID 141041345
tert-butyl (3S,5R)-3-amino-5-methylnonanoate
CID 86594296

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol?
The IUPAC name of (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol (CID 134572706) is (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol.
What is the SMILES notation for (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol?
The canonical SMILES for (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol is CCCC[C@H](N)CC(O)OC(C)(C)C.
What is the InChIKey of (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol?
The InChIKey is CSWZVXBLJRGQQV-RGURZIINSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-6-7-9(12)8-10(13)14-11(2,3)4/h9-10,13H,5-8,12H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol?
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2-methylpropan-2-yl)oxy]heptan-1-ol is sourced from PubChem (CID 134572706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).