(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine

C12H25NO — CID 142371237

IUPAC(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine
SMILESC=C(C[C@@H](N)CCCC)OC(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-7-8-11(13)9-10(2)14-12(3,4)5/h11H,2,6-9,13H2,1,3-5H3/t11-/m0/s1
InChIKeyZTOFRHHULZXEMU-NSHDSACASA-N
MW199.34 g/mol
LogP3.22
Rot. Bonds6

About (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine

(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine (PubChem CID 142371237) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine.

Molecular Properties

Compound Name(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine
PubChem CID142371237
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine
SMILESC=C(C[C@@H](N)CCCC)OC(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-7-8-11(13)9-10(2)14-12(3,4)5/h11H,2,6-9,13H2,1,3-5H3/t11-/m0/s1
InChIKeyZTOFRHHULZXEMU-NSHDSACASA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

7-Methoxyoct-7-en-1-amine
CID 129196109
1-Methoxy-5-methylideneheptan-3-amine
CID 66038745
2-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028504
2-Methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029363
5-Methylidene-1-propoxyheptan-3-amine
CID 105163948
1-Ethoxy-5-methylideneheptan-3-amine
CID 105164114
6-Methyl-1-propoxyhept-6-en-3-amine
CID 105182550
1-Ethoxy-6-methylhept-6-en-3-amine
CID 105182726
1-Methoxy-6-methylhept-6-en-3-amine
CID 114474353
5-[(2-Methylpropan-2-yl)oxy]hex-5-en-2-amine
CID 143625369

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine?
The IUPAC name of (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine (CID 142371237) is (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine.
What is the SMILES notation for (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine?
The canonical SMILES for (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine is C=C(C[C@@H](N)CCCC)OC(C)(C)C.
What is the InChIKey of (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine?
The InChIKey is ZTOFRHHULZXEMU-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-8-11(13)9-10(2)14-12(3,4)5/h11H,2,6-9,13H2,1,3-5H3/t11-/m0/s1.
What are the key properties of (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine?
(4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine has a molecular weight of 199.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(2-methylpropan-2-yl)oxy]oct-1-en-4-amine is sourced from PubChem (CID 142371237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).