(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine

C9H18FNO — CID 163597620

IUPAC(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine
SMILESC=C(OCC)[C@@H](N)CC(C)(C)F
InChIInChI=1S/C9H18FNO/c1-5-12-7(2)8(11)6-9(3,4)10/h8H,2,5-6,11H2,1,3-4H3/t8-/m0/s1
InChIKeyGUVYWMXBRWCRBH-QMMMGPOBSA-N
MW175.25 g/mol
LogP2.00
Rot. Bonds5

About (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine

(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine (PubChem CID 163597620) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine
PubChem CID163597620
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine
SMILESC=C(OCC)[C@@H](N)CC(C)(C)F
InChIInChI=1S/C9H18FNO/c1-5-12-7(2)8(11)6-9(3,4)10/h8H,2,5-6,11H2,1,3-4H3/t8-/m0/s1
InChIKeyGUVYWMXBRWCRBH-QMMMGPOBSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.00
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

2-Ethoxy-5-methylhex-1-en-3-amine
CID 88997329
2-Butoxy-4-methylpent-1-en-3-amine
CID 126663156
3-Butoxy-5-methylhepta-1,2-dien-4-amine
CID 139394807
2-Methoxy-5-methylhex-1-en-3-amine
CID 143142421
4-Methyl-2-propoxypent-1-en-3-amine
CID 154671444
2-Ethoxy-4-methylpent-1-en-3-amine
CID 155034073
(3S)-2-methoxy-5-methylhex-1-en-3-amine
CID 156883579
5-Methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine
CID 163573837
Ethane;2-ethoxy-4-methylpent-1-en-3-amine
CID 177974551
(3R)-5-methyl-2-[(2-methylpropan-2-yl)oxy]hex-1-en-3-amine
CID 178163292
2-Ethoxy-2,5-dimethylhex-5-en-3-amine
CID 116726168
2-Ethoxy-2-methylhept-6-en-3-amine
CID 116726330

Frequently Asked Questions

What is the IUPAC name of (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine?
The IUPAC name of (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine (CID 163597620) is (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine.
What is the SMILES notation for (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine?
The canonical SMILES for (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine is C=C(OCC)[C@@H](N)CC(C)(C)F.
What is the InChIKey of (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine?
The InChIKey is GUVYWMXBRWCRBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18FNO/c1-5-12-7(2)8(11)6-9(3,4)10/h8H,2,5-6,11H2,1,3-4H3/t8-/m0/s1.
What are the key properties of (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine?
(3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine has a molecular weight of 175.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-ethoxy-5-fluoro-5-methylhex-1-en-3-amine is sourced from PubChem (CID 163597620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).