(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine

C9H19NO — CID 147936225

IUPAC(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine
SMILESC=CC(C)[C@@H](C)[C@H](N)COC
InChIInChI=1S/C9H19NO/c1-5-7(2)8(3)9(10)6-11-4/h5,7-9H,1,6,10H2,2-4H3/t7?,8-,9-/m1/s1
InChIKeyIKVSZHZORSMNDV-CFCGPWAMSA-N
MW157.26 g/mol
LogP1.42
Rot. Bonds5

About (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine

(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine (PubChem CID 147936225) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine.

Molecular Properties

Compound Name(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine
PubChem CID147936225
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine
SMILESC=CC(C)[C@@H](C)[C@H](N)COC
InChIInChI=1S/C9H19NO/c1-5-7(2)8(3)9(10)6-11-4/h5,7-9H,1,6,10H2,2-4H3/t7?,8-,9-/m1/s1
InChIKeyIKVSZHZORSMNDV-CFCGPWAMSA-N
XLogP1.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Ethenoxy-3-propylhex-5-en-2-amine
CID 54093233
(2R)-1-hept-6-enoxy-3-methylbutan-2-amine
CID 90282345
5-Methoxy-5-methylhept-1-en-4-amine
CID 116757253
3-(Methoxymethyl)hex-5-en-2-amine
CID 143335167
(2R)-3-ethenylhexan-2-amine;methoxyethane
CID 143473258
(3S)-3-ethenyl-2-methoxy-4,5-dimethylhexan-1-amine
CID 173692331
(3R)-1-methoxy-3,4,4-trimethylhex-5-en-2-amine
CID 173879409
1-Propoxyhex-5-en-2-amine
CID 64298953
1-Ethoxyhex-5-en-2-amine
CID 65668037
2-Methoxy-2-methylhept-6-en-3-amine
CID 79197423
7-Methoxy-6-methylhept-1-en-4-amine
CID 105107949
6-Methoxy-5-methylhex-1-en-3-amine
CID 105161111

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine?
The IUPAC name of (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine (CID 147936225) is (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine.
What is the SMILES notation for (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine?
The canonical SMILES for (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine is C=CC(C)[C@@H](C)[C@H](N)COC.
What is the InChIKey of (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine?
The InChIKey is IKVSZHZORSMNDV-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(2)8(3)9(10)6-11-4/h5,7-9H,1,6,10H2,2-4H3/t7?,8-,9-/m1/s1.
What are the key properties of (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine?
(2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-methoxy-3,4-dimethylhex-5-en-2-amine is sourced from PubChem (CID 147936225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).